4-[bis(phenylmethyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[bis(phenylmethyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-(dibenzylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[bis(phenylmethyl)amino]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(dibenzylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-(dibenzylamino)-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)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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