ethyl 4-(4-methoxyphenyl)-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(1-mesylisonipecotoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S2/c1-4-29-21(25)18-17(14-5-7-16(28-2)8-6-14)13-30-20(18)22-19(24)15-9-11-23(12-10-15)31(3,26)27/h5-8,13,15H,4,9-12H2,1-3H3,(H,22,24)