[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O6S/c22-17-9-8-16(13-18(17)31(28,29)24-10-4-5-11-24)21(27)30-14-20(26)23-19(25)12-15-6-2-1-3-7-15/h1-3,6-9,13H,4-5,10-12,14H2,(H,23,25,26)