[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic 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)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

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