N-(3-methylphenyl)-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(3-methylphenyl)-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(m-tolyl)benzenesulfonamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide Traditional Name: 3-(4-besylpiperazine-1-carbonyl)-N-(m-tolyl)benzenesulfonamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5S2/c1-19-7-5-9-21(17-19)25-33(29,30)23-12-6-8-20(18-23)24(28)26-13-15-27(16-14-26)34(31,32)22-10-3-2-4-11-22/h2-12,17-18,25H,13-16H2,1H3