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

Systemtic Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-chlorophenyl)methylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-chlorobenzyl)amino]-N-[3-(4-methylpiperazino)propyl]-3-nitro-benzenesulfonamide Formula: C21H28ClN5O4S MolecularWeight: 481.99612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H28ClN5O4S/c1-25-11-13-26(14-12-25)10-2-9-24-32(30,31)19-7-8-20(21(15-19)27(28)29)23-16-17-3-5-18(22)6-4-17/h3-8,15,23-24H,2,9-14,16H2,1H3