N-(4-methylphenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(p-tolyl)-4-[4-(2-thienylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(p-tolyl)-4-[4-(2-thenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H25N3O3S2/c1-18-4-8-20(9-5-18)24-31(28,29)22-10-6-19(7-11-22)23(27)26-14-12-25(13-15-26)17-21-3-2-16-30-21/h2-11,16,24H,12-15,17H2,1H3