N-[3-(dimethylamino)propyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(dimethylamino)propyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NC(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NC(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O4S/c1-29(2)17-9-16-27-35(33,34)24-14-15-25(26(20-24)30(31)32)28-23(18-21-10-5-3-6-11-21)19-22-12-7-4-8-13-22/h3-8,10-15,20,23,27-28H,9,16-19H2,1-2H3