3-chloranyl-4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[3-[4-(m-tolyl)piperazino]propyl]-5-nitro-benzenesulfonamide Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C21H27ClN4O4S/c1-16-5-3-6-18(13-16)25-11-9-24(10-12-25)8-4-7-23-31(29,30)19-14-20(22)17(2)21(15-19)26(27)28/h3,5-6,13-15,23H,4,7-12H2,1-2H3