[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S,4S)-1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S,4S)-1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (2S,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (2S,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H27ClN2O6S MolecularWeight: 458.95618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)[C@@H]2C[C@@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H27ClN2O6S/c21-14-7-9-17(10-8-14)30(27,28)23-12-16(24)11-18(23)20(26)29-13-19(25)22-15-5-3-1-2-4-6-15/h7-10,15-16,18,24H,1-6,11-13H2,(H,22,25)/t16-,18-/m0/s1