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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylethyl]amino]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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-15(17-8-4-3-5-9-17)24-21(26)16(2)30-22(27)18-10-11-19(23)20(14-18)31(28,29)25-12-6-7-13-25/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,24,26)/t15-,16+/m1/s1