methyl 5-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 5-[(1-besylnipecotoyl)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=CC=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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