[4-[2-methyl-5-[(2-methylphenyl)carbamoyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate

Systemtic Name: [4-[2-methyl-5-[(2-methylphenyl)carbamoyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Openeye Name: [4-[2-methyl-5-(o-tolylcarbamoyl)phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate CAS Name: [4-[2-methyl-5-[(2-methylanilino)-oxomethyl]phenyl]sulfonylimino-1-cyclohexa-2,5-dienylidene]methanediolate IUPAC Name: [4-[2-methyl-5-[(2-methylphenyl)carbamoyl]phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Traditional Name: [4-[2-methyl-5-(o-tolylcarbamoyl)phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Formula: C22H18N2O5S-2 MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)N=C3C=CC(=C([O-])[O-])C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)S(=O)(=O)N=C3C=CC(=C([O-])[O-])C=C3

InChI

InChI=1S/C22H20N2O5S/c1-14-5-3-4-6-19(14)23-21(25)17-8-7-15(2)20(13-17)30(28,29)24-18-11-9-16(10-12-18)22(26)27/h3-13,26-27H,1-2H3,(H,23,25)/p-2