N-[2-[bis[3-(dimethylamino)propyl]amino]ethyl]-4-[(diphenylmethyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[bis[3-(dimethylamino)propyl]amino]ethyl]-4-[(diphenylmethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-(benzhydrylamino)-N-[2-[bis[3-(dimethylamino)propyl]amino]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[bis[3-(dimethylamino)propyl]amino]ethyl]-4-[(diphenylmethyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-(benzhydrylamino)-N-[2-[bis[3-(dimethylamino)propyl]amino]ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-(benzhydrylamino)-N-[2-[bis[3-(dimethylamino)propyl]amino]ethyl]-3-nitro-benzenesulfonamide Formula: C31H44N6O4S MolecularWeight: 596.78386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(CCCN(C)C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(CCCN(C)C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H44N6O4S/c1-34(2)20-11-22-36(23-12-21-35(3)4)24-19-32-42(40,41)28-17-18-29(30(25-28)37(38)39)33-31(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-18,25,31-33H,11-12,19-24H2,1-4H3