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

Systemtic Name: methyl 5-[[1-(4-ethoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(4-ethoxy-3-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(4-ethoxy-3-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-(4-ethoxy-3-methyl-phenyl)sulfonylisonipecotoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)C

InChI

InChI=1S/C25H28N2O6S2/c1-4-33-21-7-6-20(13-16(21)2)35(30,31)27-11-9-17(10-12-27)24(28)26-19-5-8-22-18(14-19)15-23(34-22)25(29)32-3/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,26,28)