(2S)-1-(2-benzamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-benzamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-benzamido-5-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid CAS Name: (2S)-1-(2-benzamido-5-chloro-4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-benzamido-5-chloro-4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(2-benzamido-5-chloro-4-methyl-phenyl)sulfonylproline Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCC[C@H]2C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O5S/c1-12-10-15(21-18(23)13-6-3-2-4-7-13)17(11-14(12)20)28(26,27)22-9-5-8-16(22)19(24)25/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1