4-[[N-(4-bromophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-3,5-dimethyl-phenolate

Systemtic Name: 4-[[N-(4-bromophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-3,5-dimethyl-phenolate Openeye Name: 4-[[N-(4-bromophenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]-3,5-dimethyl-phenolate CAS Name: 4-[[(4-bromophenyl)sulfonylimino-phenylmethyl]amino]-3,5-dimethylphenolate IUPAC Name: 4-[[N-(4-bromophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-3,5-dimethylphenolate Traditional Name: 4-[(N-brosyl-C-phenyl-carbonimidoyl)amino]-3,5-dimethyl-phenolate Formula: C21H18BrN2O3S- MolecularWeight: 458.34822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C)[O-]

InChI

InChI=1S/C21H19BrN2O3S/c1-14-12-18(25)13-15(2)20(14)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