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

Systemtic Name: 2-[[(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid Openeye Name: 2-[(p-tolylsulfonylamino)carbamoyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid CAS Name: 4-mercapto-2-[[(4-methylphenyl)sulfonylhydrazo]-oxomethyl]-1-pyrrolidinesulfonic acid IUPAC Name: 2-[[(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanylpyrrolidine-1-sulfonic acid Traditional Name: 4-mercapto-2-[(tosylamino)carbamoyl]pyrrolidine-1-sulfonic acid Formula: C12H17N3O6S3 MolecularWeight: 395.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC(CN2S(=O)(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2CC(CN2S(=O)(=O)O)S

InChI

InChI=1S/C12H17N3O6S3/c1-8-2-4-10(5-3-8)23(17,18)14-13-12(16)11-6-9(22)7-15(11)24(19,20)21/h2-5,9,11,14,22H,6-7H2,1H3,(H,13,16)(H,19,20,21)