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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c24-19(14-16-6-2-1-3-7-16)22-20(25)15-29-21(26)17-8-10-18(11-9-17)30(27,28)23-12-4-5-13-23/h1-3,6-11H,4-5,12-15H2,(H,22,24,25)