[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: (6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: (6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(4-tosylpiperazino)methanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-3-6-17(7-4-15)28(25,26)23-11-9-22(10-12-23)21(24)19-14-27-20-13-16(2)5-8-18(19)20/h3-4,6-7,14,16H,5,8-13H2,1-2H3