methyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-besylnipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O5S2/c1-29-22(26)19-17-11-5-6-12-18(17)30-21(19)23-20(25)15-8-7-13-24(14-15)31(27,28)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,23,25)