[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C23H27ClN2O5S/c1-14-11-15(2)21(16(3)12-14)25-22(27)17(4)31-23(28)18-7-8-19(24)20(13-18)32(29,30)26-9-5-6-10-26/h7-8,11-13,17H,5-6,9-10H2,1-4H3,(H,25,27)/t17-/m0/s1