2-[[(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(p-tolylsulfonylamino)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 4-mercapto-2-[[(4-methylphenyl)sulfonylhydrazo]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 4-mercapto-2-[(tosylamino)carbamoyl]pyrrolidine-1-carboxylic acid Formula: C13H17N3O5S2 MolecularWeight: 359.42118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC(CN2C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC(CN2C(=O)O)S

InChI

InChI=1S/C13H17N3O5S2/c1-8-2-4-10(5-3-8)23(20,21)15-14-12(17)11-6-9(22)7-16(11)13(18)19/h2-5,9,11,15,22H,6-7H2,1H3,(H,14,17)(H,18,19)