4-[(4-aminophenyl)amino]-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-aminophenyl)amino]-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-aminoanilino)-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-aminoanilino)-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-aminoanilino)-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-aminoanilino)-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c19-9-1-11-23(12-2-10-20)29(27,28)16-7-8-17(18(13-16)24(25)26)22-15-5-3-14(21)4-6-15/h3-8,13,22H,1-2,11-12,21H2