3-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methylideneamino]benzoic acid

Systemtic Name: 3-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methylideneamino]benzoic acid Openeye Name: 3-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-phenyl]methyleneamino]benzoic acid CAS Name: 3-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid IUPAC Name: 3-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid Traditional Name: 3-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-methyl-benzylidene]amino]benzoic acid Formula: C21H26N2O8S2 MolecularWeight: 498.56974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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