ethyl 2-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-benzylsulfonylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O5S2/c1-2-31-24(28)21-19-10-6-7-11-20(19)32-23(21)25-22(27)18-12-14-26(15-13-18)33(29,30)16-17-8-4-3-5-9-17/h3-5,8-9,18H,2,6-7,10-16H2,1H3,(H,25,27)