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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c23-19(21-14-16-6-2-1-3-7-16)15-27-20(24)17-8-10-18(11-9-17)28(25,26)22-12-4-5-13-22/h1-3,6-11H,4-5,12-15H2,(H,21,23)