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

Systemtic Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methylideneamino]benzoic acid Openeye Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methyleneamino]benzoic acid CAS Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid IUPAC Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid Traditional Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzylidene]amino]benzoic acid Formula: C21H26N2O8S2 MolecularWeight: 498.56974

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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

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

InChI

InChI=1S/C21H26N2O8S2/c1-16-14-20(23(10-12-30-32(2,26)27)11-13-31-33(3,28)29)9-6-18(16)15-22-19-7-4-17(5-8-19)21(24)25/h4-9,14-15H,10-13H2,1-3H3,(H,24,25)