[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O5S/c26-22-13-12-21(34(31,32)28-14-4-5-15-28)16-23(22)27-24(29)17-33-25(30)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-13,16H,4-5,14-15,17H2,(H,27,29)