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

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-[[methyl-(4-methylphenyl)sulfonyl-amino]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-[[methyl(p-tolylsulfonyl)amino]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-[[2-methyl-2-(4-methylphenyl)sulfonylhydrazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-[[methyl-(4-methylphenyl)sulfonylamino]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[methyl(tosyl)amino]carbamoyl]-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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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)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)NC(=O)C2CC(CN2C(=O)O)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O6S2/c1-15-4-10-19(11-5-15)33(29,30)24(2)23-21(26)20-12-18(13-25(20)22(27)28)32-14-16-6-8-17(31-3)9-7-16/h4-11,18,20H,12-14H2,1-3H3,(H,23,26)(H,27,28)