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

Systemtic Name: 2-[[methyl-(4-methylphenyl)sulfonyl-amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid Openeye Name: 2-[[methyl(p-tolylsulfonyl)amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid CAS Name: 4-mercapto-2-[[2-methyl-2-(4-methylphenyl)sulfonylhydrazinyl]-oxomethyl]-1-pyrrolidinesulfonic acid IUPAC Name: 2-[[methyl-(4-methylphenyl)sulfonylamino]carbamoyl]-4-sulfanylpyrrolidine-1-sulfonic acid Traditional Name: 4-mercapto-2-[[methyl(tosyl)amino]carbamoyl]pyrrolidine-1-sulfonic acid Formula: C13H19N3O6S3 MolecularWeight: 409.50146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)C2CC(CN2S(=O)(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)C2CC(CN2S(=O)(=O)O)S

InChI

InChI=1S/C13H19N3O6S3/c1-9-3-5-11(6-4-9)24(18,19)15(2)14-13(17)12-7-10(23)8-16(12)25(20,21)22/h3-6,10,12,23H,7-8H2,1-2H3,(H,14,17)(H,20,21,22)