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

Systemtic Name: 4-(1,3-diphenylpropan-2-ylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-diphenylpropan-2-ylamino)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-diphenylpropan-2-ylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzyl-2-phenyl-ethyl)amino]-N-[3-(4-methylpiperazino)propyl]-3-nitro-benzenesulfonamide Formula: C29H37N5O4S MolecularWeight: 551.70018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)NC(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)NC(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H37N5O4S/c1-32-17-19-33(20-18-32)16-8-15-30-39(37,38)27-13-14-28(29(23-27)34(35)36)31-26(21-24-9-4-2-5-10-24)22-25-11-6-3-7-12-25/h2-7,9-14,23,26,30-31H,8,15-22H2,1H3