N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(phenylmethyl)quinoline-8-sulfonamide

Systemtic Name: N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(phenylmethyl)quinoline-8-sulfonamide Openeye Name: N-benzyl-N-[[3-(p-tolyl)-4,5-dihydroisoxazol-5-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[3-(4-methylphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-N-(phenylmethyl)-8-quinolinesulfonamide IUPAC Name: N-benzyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-benzyl-N-[[3-(p-tolyl)-2-isoxazolin-5-yl]methyl]quinoline-8-sulfonamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(C2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(C2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H25N3O3S/c1-20-12-14-22(15-13-20)25-17-24(33-29-25)19-30(18-21-7-3-2-4-8-21)34(31,32)26-11-5-9-23-10-6-16-28-27(23)26/h2-16,24H,17-19H2,1H3