N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: 5-bromo-N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide CAS Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-5-bromopyridine-3-carboxamide Traditional Name: 5-bromo-N-[6-(diisobutylsulfamoyl)-1,3-benzothiazol-2-yl]nicotinamide Formula: C21H25BrN4O3S2 MolecularWeight: 525.4822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H25BrN4O3S2/c1-13(2)11-26(12-14(3)4)31(28,29)17-5-6-18-19(8-17)30-21(24-18)25-20(27)15-7-16(22)10-23-9-15/h5-10,13-14H,11-12H2,1-4H3,(H,24,25,27)