[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21ClN2O5S2/c1-29-15-7-8-18(21)17(12-15)20(25)28-13-19(24)22-14-5-4-6-16(11-14)30(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,24)