[3-(4-methylphenyl)thiophen-2-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-methylphenyl)thiophen-2-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(p-tolyl)-2-thienyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[3-(4-methylphenyl)-2-thiophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone Traditional Name: (4-besylpiperazino)-[3-(p-tolyl)-2-thienyl]methanone Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-17-7-9-18(10-8-17)20-11-16-28-21(20)22(25)23-12-14-24(15-13-23)29(26,27)19-5-3-2-4-6-19/h2-11,16H,12-15H2,1H3