[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S2/c28-24(26-22-13-4-5-14-23(22)33-20-10-2-1-3-11-20)18-32-25(29)19-9-8-12-21(17-19)34(30,31)27-15-6-7-16-27/h1-5,8-14,17H,6-7,15-16,18H2,(H,26,28)