[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 2-[(S)-ethylsulfinyl]benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 2-[(S)-ethylsulfinyl]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-[(S)-ethylsulfinyl]benzoate CAS Name: 2-[(S)-ethylsulfinyl]benzoic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-[(S)-ethylsulfinyl]benzoate Traditional Name: 2-[(S)-ethylsulfinyl]benzoic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O6S2/c1-3-31(27)20-9-5-4-8-19(20)22(26)30-16(2)21(25)23-17-10-12-18(13-11-17)32(28,29)24-14-6-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,23,25)/t16-,31+/m1/s1