1-[3-aminocarbonyl-4,6-dimethyl-2-(pyridin-2-yldisulfanyl)phenyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[3-aminocarbonyl-4,6-dimethyl-2-(pyridin-2-yldisulfanyl)phenyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[3-carbamoyl-4,6-dimethyl-2-(2-pyridyldisulfanyl)phenyl]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[3-carbamoyl-4,6-dimethyl-2-(2-pyridinyldisulfanyl)phenyl]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[3-carbamoyl-4,6-dimethyl-2-(pyridin-2-yldisulfanyl)phenyl]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[3-carbamoyl-4,6-dimethyl-2-(2-pyridyldisulfanyl)phenyl]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C18H17N3O6S3 MolecularWeight: 467.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)N)SSC2=CC=CC=N2)N3C(=O)CC(C3=O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)N)SSC2=CC=CC=N2)N3C(=O)CC(C3=O)S(=O)(=O)O)C

InChI

InChI=1S/C18H17N3O6S3/c1-9-7-10(2)15(21-13(22)8-11(18(21)24)30(25,26)27)16(14(9)17(19)23)29-28-12-5-3-4-6-20-12/h3-7,11H,8H2,1-2H3,(H2,19,23)(H,25,26,27)