[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c23-18-9-8-16(29(26,27)22-10-4-5-11-22)12-17(18)20(25)28-14-19(24)21-13-15-6-2-1-3-7-15/h1-3,6-9,12,23H,4-5,10-11,13-14H2,(H,21,24)