4-azanylidene-1-oxidanylidene-1,4-bis[4-(pyridin-2-yldisulfanyl)pentanoyloxy]butane-2-sulfonic acid

Systemtic Name: 4-azanylidene-1-oxidanylidene-1,4-bis[4-(pyridin-2-yldisulfanyl)pentanoyloxy]butane-2-sulfonic acid Openeye Name: 4-imino-1-oxo-1,4-bis[4-(2-pyridyldisulfanyl)pentanoyloxy]butane-2-sulfonic acid CAS Name: 4-imino-1-oxo-1,4-bis[1-oxo-4-(2-pyridinyldisulfanyl)pentoxy]-2-butanesulfonic acid IUPAC Name: 4-imino-1-oxo-1,4-bis[4-(pyridin-2-yldisulfanyl)pentanoyloxy]butane-2-sulfonic acid Traditional Name: 4-imino-1-keto-1,4-bis[4-(2-pyridyldisulfanyl)pentanoyloxy]butane-2-sulfonic acid Formula: C24H29N3O8S5 MolecularWeight: 647.82736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC(=N)CC(C(=O)OC(=O)CCC(C)SSC1=CC=CC=N1)S(=O)(=O)O)SSC2=CC=CC=N2

Isomeric SMILES

CC(CCC(=O)OC(=N)CC(C(=O)OC(=O)CCC(C)SSC1=CC=CC=N1)S(=O)(=O)O)SSC2=CC=CC=N2

InChI

InChI=1S/C24H29N3O8S5/c1-16(36-38-20-7-3-5-13-26-20)9-11-22(28)34-19(25)15-18(40(31,32)33)24(30)35-23(29)12-10-17(2)37-39-21-8-4-6-14-27-21/h3-8,13-14,16-18,25H,9-12,15H2,1-2H3,(H,31,32,33)