4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methylideneamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methylideneamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methyleneamino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzylidene]amino]-2-hydroxy-benzoic acid Formula: C21H26N2O9S2 MolecularWeight: 514.56914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H26N2O9S2/c1-15-12-18(23(8-10-31-33(2,27)28)9-11-32-34(3,29)30)6-4-16(15)14-22-17-5-7-19(21(25)26)20(24)13-17/h4-7,12-14,24H,8-11H2,1-3H3,(H,25,26)