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

Systemtic Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(4-methoxyphenyl)sulfonylpiperazino]-(6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-15-3-8-18-19(14-28-20(18)13-15)21(24)22-9-11-23(12-10-22)29(25,26)17-6-4-16(27-2)5-7-17/h4-7,14-15H,3,8-13H2,1-2H3