3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-5-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenylsulfanyl-benzoic acid

Systemtic Name: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-5-[(E)-dimethylaminomethylideneamino]sulfonyl-4-phenylsulfanyl-benzoic acid Openeye Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-(2,5-dioxopyrrolidin-1-yl)-4-phenylsulfanyl-benzoic acid CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-(2,5-dioxo-1-pyrrolidinyl)-4-(phenylthio)benzoic acid IUPAC Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-(2,5-dioxopyrrolidin-1-yl)-4-phenylsulfanylbenzoic acid Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-4-(phenylthio)-5-succinimido-benzoic acid Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1SC2=CC=CC=C2)N3C(=O)CCC3=O)C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1SC2=CC=CC=C2)N3C(=O)CCC3=O)C(=O)O

InChI

InChI=1S/C20H19N3O6S2/c1-22(2)12-21-31(28,29)16-11-13(20(26)27)10-15(23-17(24)8-9-18(23)25)19(16)30-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,26,27)/b21-12+