N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]quinoline-8-sulfonamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-8-quinolinesulfonamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]quinoline-8-sulfonamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)Br

InChI

InChI=1S/C20H17BrN4O2S/c1-14-7-9-15(10-8-14)12-25-13-17(21)20(23-25)24-28(26,27)18-6-2-4-16-5-3-11-22-19(16)18/h2-11,13H,12H2,1H3,(H,23,24)