[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClN3O6S/c1-12(2)10-20-18(25)21-16(23)11-28-17(24)15-4-3-9-22(15)29(26,27)14-7-5-13(19)6-8-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,20,21,23,25)/t15-/m0/s1