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

Systemtic Name: methyl 5-[[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(3-chloro-4-methoxy-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-(3-chloro-4-methoxy-phenyl)sulfonylisonipecotoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H23ClN2O6S2 MolecularWeight: 523.02152

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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)Cl

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)Cl

InChI

InChI=1S/C23H23ClN2O6S2/c1-31-19-5-4-17(13-18(19)24)34(29,30)26-9-7-14(8-10-26)22(27)25-16-3-6-20-15(11-16)12-21(33-20)23(28)32-2/h3-6,11-14H,7-10H2,1-2H3,(H,25,27)