[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c29-25(27-24-11-5-4-10-22(24)18-20-8-2-1-3-9-20)19-33-26(30)21-12-14-23(15-13-21)34(31,32)28-16-6-7-17-28/h1-5,8-15H,6-7,16-19H2,(H,27,29)