[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-3-6-13(2)20-17(22)12-26-18(23)15-11-14(7-8-16(15)19)27(24,25)21-9-4-5-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,22)/t13-/m0/s1