4-benzamido-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-benzamido-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-benzamido-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-benzamido-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-benzamido-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-benzamido-1-tosyl-proline Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c1-13-7-9-16(10-8-13)27(25,26)21-12-15(11-17(21)19(23)24)20-18(22)14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3,(H,20,22)(H,23,24)