[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27ClN2O5S/c1-14(19(24)22-16-7-3-2-4-8-16)28-20(25)15-9-10-17(21)18(13-15)29(26,27)23-11-5-6-12-23/h9-10,13-14,16H,2-8,11-12H2,1H3,(H,22,24)