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

Systemtic Name: N-[2-[3-(dimethylamino)propyl-methyl-amino]ethyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-[2-[3-(dimethylamino)propyl-methyl-amino]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-4-(1,3-diphenylpropan-2-ylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-[2-[3-(dimethylamino)propyl-methyl-amino]ethyl]-3-nitro-benzenesulfonamide Formula: C29H39N5O4S MolecularWeight: 553.71606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O4S/c1-32(2)18-10-19-33(3)20-17-30-39(37,38)27-15-16-28(29(23-27)34(35)36)31-26(21-24-11-6-4-7-12-24)22-25-13-8-5-9-14-25/h4-9,11-16,23,26,30-31H,10,17-22H2,1-3H3