N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]quinoline-8-sulfonamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]quinoline-8-sulfonamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]quinoline-8-sulfonamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-14-20(22)15(2)26(24-14)13-16-6-3-9-18(12-16)25-29(27,28)19-10-4-7-17-8-5-11-23-21(17)19/h3-12,25H,13H2,1-2H3