[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-15(17-8-4-3-5-9-17)24-21(26)16(2)30-22(27)19-14-18(10-11-20(19)23)31(28,29)25-12-6-7-13-25/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,24,26)