N,N-diethyl-4-[(4-methylphenyl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(4-methylphenyl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(p-tolylmethylamino)benzenesulfonamide CAS Name: N,N-diethyl-4-[(4-methylphenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(4-methylphenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(4-methylbenzyl)amino]-3-nitro-benzenesulfonamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-4-20(5-2)26(24,25)16-10-11-17(18(12-16)21(22)23)19-13-15-8-6-14(3)7-9-15/h6-12,19H,4-5,13H2,1-3H3