methyl 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-thienylsulfonyl)piperazino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H25N3O5S3 MolecularWeight: 483.6246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O5S3/c1-28-20(25)18-14-5-2-3-6-15(14)30-19(18)21-16(24)13-22-8-10-23(11-9-22)31(26,27)17-7-4-12-29-17/h4,7,12H,2-3,5-6,8-11,13H2,1H3,(H,21,24)