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

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[(1-tosylisonipecotoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-13-3-5-15(6-4-13)28(24,25)21-10-7-14(8-11-21)17(22)20-18-16(9-12-27-18)19(23)26-2/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,20,22)