methyl 4-(4-bromophenyl)sulfanyl-3-sulfamoyl-benzoate

Systemtic Name: methyl 4-(4-bromophenyl)sulfanyl-3-sulfamoyl-benzoate Openeye Name: methyl 4-(4-bromophenyl)sulfanyl-3-sulfamoyl-benzoate CAS Name: 4-[(4-bromophenyl)thio]-3-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)sulfanyl-3-sulfamoylbenzoate Traditional Name: 4-[(4-bromophenyl)thio]-3-sulfamoyl-benzoic acid methyl ester Formula: C14H12BrNO4S2 MolecularWeight: 402.28338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)S(=O)(=O)N

InChI

InChI=1S/C14H12BrNO4S2/c1-20-14(17)9-2-7-12(13(8-9)22(16,18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,18,19)