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

Systemtic Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-chloranyl-phenyl]methylideneamino]benzoic acid Openeye Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-chloro-phenyl]methyleneamino]benzoic acid CAS Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-chlorophenyl]methylideneamino]benzoic acid IUPAC Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-chlorophenyl]methylideneamino]benzoic acid Traditional Name: 4-[[4-[bis(2-methylsulfonyloxyethyl)amino]-2-chloro-benzylidene]amino]benzoic acid Formula: C20H23ClN2O8S2 MolecularWeight: 518.98822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C20H23ClN2O8S2/c1-32(26,27)30-11-9-23(10-12-31-33(2,28)29)18-8-5-16(19(21)13-18)14-22-17-6-3-15(4-7-17)20(24)25/h3-8,13-14H,9-12H2,1-2H3,(H,24,25)