4-[(4-azanyl-3-ethyl-phenyl)amino]-N-(4-methylphenyl)sulfonyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-3-ethyl-phenyl)amino]-N-(4-methylphenyl)sulfonyl-3-nitro-benzenesulfonamide Openeye Name: 4-(4-amino-3-ethyl-anilino)-3-nitro-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: 4-(4-amino-3-ethylanilino)-N-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-amino-3-ethylanilino)-N-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-amino-3-ethyl-anilino)-3-nitro-N-tosyl-benzenesulfonamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])N

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])N

InChI

InChI=1S/C21H22N4O6S2/c1-3-15-12-16(6-10-19(15)22)23-20-11-9-18(13-21(20)25(26)27)33(30,31)24-32(28,29)17-7-4-14(2)5-8-17/h4-13,23-24H,3,22H2,1-2H3