4-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-chlorobenzyl)amino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C18H23ClN4O4S MolecularWeight: 426.91762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN4O4S/c1-22(2)11-3-10-21-28(26,27)16-8-9-17(18(12-16)23(24)25)20-13-14-4-6-15(19)7-5-14/h4-9,12,20-21H,3,10-11,13H2,1-2H3