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

Systemtic Name: ethyl 5-ethyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1-tosylisonipecotoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C22H28N2O5S2/c1-4-17-14-19(22(26)29-5-2)21(30-17)23-20(25)16-10-12-24(13-11-16)31(27,28)18-8-6-15(3)7-9-18/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,23,25)