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

Systemtic Name: N-(4-methylphenyl)-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(p-tolyl)-3-[4-(3-thienylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(4-methylphenyl)-3-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(p-tolyl)-3-[4-(3-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=CC(=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

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