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

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-tosylnipecotoyl)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)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S2/c1-3-31-24(28)21-19-8-4-5-9-20(19)32-23(21)25-22(27)17-7-6-14-26(15-17)33(29,30)18-12-10-16(2)11-13-18/h10-13,17H,3-9,14-15H2,1-2H3,(H,25,27)