[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H23N3O5S2/c27-17-19-7-1-3-9-23(19)35-24-10-4-2-8-22(24)26(31)34-18-25(30)28-20-11-13-21(14-12-20)36(32,33)29-15-5-6-16-29/h1-4,7-14H,5-6,15-16,18H2,(H,28,30)