methyl 5-bromanyl-2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoate Openeye Name: methyl 5-bromo-2-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]sulfamoyl]benzoate CAS Name: 5-bromo-2-[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoate Traditional Name: 5-bromo-2-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]sulfamoyl]benzoic acid methyl ester Formula: C21H25BrN2O6S2 MolecularWeight: 545.467

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Br)C(=O)OC)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Br)C(=O)OC)C

InChI

InChI=1S/C21H25BrN2O6S2/c1-14-5-4-6-15(2)24(14)32(28,29)18-10-8-17(9-11-18)23-31(26,27)20-12-7-16(22)13-19(20)21(25)30-3/h7-15,23H,4-6H2,1-3H3