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Reference substances

Reference substances

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General information

Inventory

EC number:
266-648-3
EC name:
4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulphonamide
CAS number:
67338-59-4

No inventory information available

Reference substance information

IUPAC name:
4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzene-1-sulfonamide
Synonyms
Names:
Benzenesulfonamide, 4- (4-ethoxyphenyl)amino -N,N-dimethyl-3-nitro-
Benzenesulfonamide, 4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitro-
Identifier:
CAS number
67338-59-4
Identifier:
IUPAC name
4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulfonamide
Identifier:
other: SMILES notation
CCOc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N(C)C)cc1
Identifier:
other: InChl
InChI=1/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3
4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulphonamide

CAS information

CAS number:
67338-59-4

Molecular and structural information

Molecular formula:
C16H19N3O5S
Molecular weight:
ca. 365.4
SMILES notation:
O=S(=O)(N(C)C)c2cc(c(Nc1ccc(OCC)cc1)cc2)[N+]([O-])=O
InChl:
InChI=1S/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3
Structural formula:
Chemical structure