4-chloranyl-N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-[4-(4-o-toluoylpiperazino)phenyl]benzenesulfonamide Formula: C24H23ClN4O5S MolecularWeight: 514.98122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H23ClN4O5S/c1-17-4-2-3-5-21(17)24(30)28-14-12-27(13-15-28)19-8-6-18(7-9-19)26-35(33,34)20-10-11-22(25)23(16-20)29(31)32/h2-11,16,26H,12-15H2,1H3