2-[[methyl-(4-methylphenyl)sulfonyl-amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[methyl-(4-methylphenyl)sulfonyl-amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[methyl(p-tolylsulfonyl)amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 4-mercapto-2-[[2-methyl-2-(4-methylphenyl)sulfonylhydrazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[methyl-(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 4-mercapto-2-[[methyl(tosyl)amino]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C14H19N3O5S2 MolecularWeight: 373.44776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)C2CC(CN2C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)C2CC(CN2C(=O)O)S

InChI

InChI=1S/C14H19N3O5S2/c1-9-3-5-11(6-4-9)24(21,22)16(2)15-13(18)12-7-10(23)8-17(12)14(19)20/h3-6,10,12,23H,7-8H2,1-2H3,(H,15,18)(H,19,20)