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

Systemtic Name: [4-[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Openeye Name: [4-[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate CAS Name: [4-[5-[(4-bromoanilino)-oxomethyl]-2-methylphenyl]sulfonylimino-1-cyclohexa-2,5-dienylidene]methanediolate IUPAC Name: [4-[5-[(4-bromophenyl)carbamoyl]-2-methylphenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Traditional Name: [4-[5-[(4-bromophenyl)carbamoyl]-2-methyl-phenyl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Formula: C21H15BrN2O5S-2 MolecularWeight: 487.3232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)N=C3C=CC(=C([O-])[O-])C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)N=C3C=CC(=C([O-])[O-])C=C3

InChI

InChI=1S/C21H17BrN2O5S/c1-13-2-3-15(20(25)23-17-10-6-16(22)7-11-17)12-19(13)30(28,29)24-18-8-4-14(5-9-18)21(26)27/h2-12,26-27H,1H3,(H,23,25)/p-2