ethyl 5-ethyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(1-besylisonipecotoyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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