methyl 3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[(1-besylisonipecotoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S2/c1-25-18(22)16-15(9-12-26-16)19-17(21)13-7-10-20(11-8-13)27(23,24)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,19,21)