N-(2-methylphenyl)-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(o-tolyl)-4-[4-(3-thienylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(o-tolyl)-4-[4-(3-thenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

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