4-[[N-(4-bromophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-2,6-dimethyl-phenolate

Systemtic Name: 4-[[N-(4-bromophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-2,6-dimethyl-phenolate Openeye Name: 4-[[N-(4-bromophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-2,6-dimethyl-phenolate CAS Name: 4-[[(4-bromophenyl)sulfonylimino-phenylmethyl]amino]-2,6-dimethylphenolate IUPAC Name: 4-[[N-(4-bromophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-2,6-dimethylphenolate Traditional Name: 4-[(N-brosyl-C-phenyl-carbonimidoyl)amino]-2,6-dimethyl-phenolate Formula: C21H18BrN2O3S- MolecularWeight: 458.34822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[O-])C)NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1[O-])C)NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O3S/c1-14-12-18(13-15(2)20(14)25)23-21(16-6-4-3-5-7-16)24-28(26,27)19-10-8-17(22)9-11-19/h3-13,25H,1-2H3,(H,23,24)/p-1