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

Systemtic Name: 4-(1,2-diphenylethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-(1,2-diphenylethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-(1,2-diphenylethylamino)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,2-diphenylethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-(1,2-diphenylethylamino)-N-[3-(4-methylpiperazino)propyl]-3-nitro-benzenesulfonamide Formula: C28H35N5O4S MolecularWeight: 537.6736

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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)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O4S/c1-31-17-19-32(20-18-31)16-8-15-29-38(36,37)25-13-14-26(28(22-25)33(34)35)30-27(24-11-6-3-7-12-24)21-23-9-4-2-5-10-23/h2-7,9-14,22,27,29-30H,8,15-21H2,1H3