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

Systemtic Name: methyl 6-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(1-tosylnipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H30N2O5S2/c1-15-6-9-18(10-7-15)33(29,30)26-12-4-5-17(14-26)22(27)25-23-21(24(28)31-3)19-11-8-16(2)13-20(19)32-23/h6-7,9-10,16-17H,4-5,8,11-14H2,1-3H3,(H,25,27)