ethyl 5-(3,4-dimethoxyphenyl)-3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[(1-mesylisonipecotoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O7S2/c1-5-31-22(26)20-16(23-21(25)14-8-10-24(11-9-14)33(4,27)28)13-19(32-20)15-6-7-17(29-2)18(12-15)30-3/h6-7,12-14H,5,8-11H2,1-4H3,(H,23,25)