methyl 3-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(4-acetylphenyl)sulfonylisonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O6S2/c1-13(23)14-3-5-16(6-4-14)30(26,27)22-10-7-15(8-11-22)19(24)21-17-9-12-29-18(17)20(25)28-2/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,24)