[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5S/c1-13(2)9-10-20-17(22)12-26-18(23)16-4-3-11-21(16)27(24,25)15-7-5-14(19)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,20,22)/t16-/m0/s1