4-[bis(2-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[bis(2-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[bis(2-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[bis(2-chlorophenyl)methylamino]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[bis(2-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[bis(2-chlorophenyl)methylamino]-N-[3-(4-methylpiperazino)propyl]-3-nitro-benzenesulfonamide Formula: C27H31Cl2N5O4S MolecularWeight: 592.53714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H31Cl2N5O4S/c1-32-15-17-33(18-16-32)14-6-13-30-39(37,38)20-11-12-25(26(19-20)34(35)36)31-27(21-7-2-4-9-23(21)28)22-8-3-5-10-24(22)29/h2-5,7-12,19,27,30-31H,6,13-18H2,1H3