(2S,3R)-2-(4-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(4-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxylic acid Openeye Name: (2S,3R)-1-(benzenesulfonyl)-2-(p-tolyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3R)-1-(benzenesulfonyl)-2-(4-methylphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R)-1-(benzenesulfonyl)-2-(4-methylphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (2S,3R)-1-besyl-2-(p-tolyl)pyrrolidine-3-carboxylic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-13-7-9-14(10-8-13)17-16(18(20)21)11-12-19(17)24(22,23)15-5-3-2-4-6-15/h2-10,16-17H,11-12H2,1H3,(H,20,21)/t16-,17-/m1/s1