[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c25-19(23-21(27)22-14-16-7-2-1-3-8-16)15-30-20(26)17-9-6-10-18(13-17)31(28,29)24-11-4-5-12-24/h1-3,6-10,13H,4-5,11-12,14-15H2,(H2,22,23,25,27)