N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]quinoline-8-sulfonamide CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-8-quinolinesulfonamide IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]quinoline-8-sulfonamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C22H22N4O2S/c1-15-8-4-5-9-19(15)14-26-17(3)21(16(2)24-26)25-29(27,28)20-12-6-10-18-11-7-13-23-22(18)20/h4-13,25H,14H2,1-3H3