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

Systemtic Name: 2-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid Openeye Name: 2-[[isobutyl(p-tolylsulfonyl)amino]carbamoyl]-4-sulfanyl-pyrrolidine-1-sulfonic acid CAS Name: 4-mercapto-2-[[2-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)hydrazinyl]-oxomethyl]-1-pyrrolidinesulfonic acid IUPAC Name: 2-[[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]carbamoyl]-4-sulfanylpyrrolidine-1-sulfonic acid Traditional Name: 2-[[isobutyl(tosyl)amino]carbamoyl]-4-mercapto-pyrrolidine-1-sulfonic acid Formula: C16H25N3O6S3 MolecularWeight: 451.5812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O6S3/c1-11(2)9-19(27(21,22)14-6-4-12(3)5-7-14)17-16(20)15-8-13(26)10-18(15)28(23,24)25/h4-7,11,13,15,26H,8-10H2,1-3H3,(H,17,20)(H,23,24,25)