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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S2/c1-4-28-21(25)18-14(2)15(3)29-20(18)22-19(24)16-9-8-12-23(13-16)30(26,27)17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-13H2,1-3H3,(H,22,24)/t16-/m1/s1