ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[(1-tosylisonipecotoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H26N2O5S2/c1-4-28-21(25)19-15(3)13-18(29-19)22-20(24)16-9-11-23(12-10-16)30(26,27)17-7-5-14(2)6-8-17/h5-8,13,16H,4,9-12H2,1-3H3,(H,22,24)