5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[(4-pyridin-4-ylcarbonylphenyl)sulfonylmethyl]pentanoic acid

Systemtic Name: 5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[(4-pyridin-4-ylcarbonylphenyl)sulfonylmethyl]pentanoic acid Openeye Name: 5-(2,5-dioxopyrrolidin-1-yl)-2-[[4-(pyridine-4-carbonyl)phenyl]sulfonylmethyl]pentanoic acid CAS Name: 5-(2,5-dioxo-1-pyrrolidinyl)-2-[[4-[oxo(pyridin-4-yl)methyl]phenyl]sulfonylmethyl]pentanoic acid IUPAC Name: 5-(2,5-dioxopyrrolidin-1-yl)-2-[[4-(pyridine-4-carbonyl)phenyl]sulfonylmethyl]pentanoic acid Traditional Name: 2-[(4-isonicotinoylphenyl)sulfonylmethyl]-5-succinimido-valeric acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CCCC(CS(=O)(=O)C2=CC=C(C=C2)C(=O)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)CCCC(CS(=O)(=O)C2=CC=C(C=C2)C(=O)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H22N2O7S/c25-19-7-8-20(26)24(19)13-1-2-17(22(28)29)14-32(30,31)18-5-3-15(4-6-18)21(27)16-9-11-23-12-10-16/h3-6,9-12,17H,1-2,7-8,13-14H2,(H,28,29)