[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H21BrN2O6S/c1-13(29-20(26)17-12-14(21)4-9-18(17)24)19(25)22-15-5-7-16(8-6-15)30(27,28)23-10-2-3-11-23/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,22,25)/t13-/m0/s1