methyl 5-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H26N2O7S2 MolecularWeight: 518.60244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)OC

InChI

InChI=1S/C24H26N2O7S2/c1-31-19-6-5-18(14-20(19)32-2)35(29,30)26-10-8-15(9-11-26)23(27)25-17-4-7-21-16(12-17)13-22(34-21)24(28)33-3/h4-7,12-15H,8-11H2,1-3H3,(H,25,27)