[(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1R)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-3-25(18-9-5-4-6-10-18)21(26)16(2)30-22(27)17-11-12-19(23)20(15-17)31(28,29)24-13-7-8-14-24/h4-6,9-12,15-16H,3,7-8,13-14H2,1-2H3/t16-/m1/s1