methyl 3-(4-aminocarbonylpiperidin-1-yl)sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(4-aminocarbonylpiperidin-1-yl)sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[(4-carbamoyl-1-piperidyl)sulfonyl]-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-[(4-carbamoyl-1-piperidinyl)sulfonyl]-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-carbamoylpiperidin-1-yl)sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(4-carbamoylpiperidino)sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCC(CC3)C(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCC(CC3)C(=O)N)C(=O)OC

InChI

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