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

Systemtic Name: N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-ethyl-N-[[(5R)-3-(p-tolyl)-4,5-dihydroisoxazol-5-yl]methyl]quinoline-8-sulfonamide CAS Name: N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-8-quinolinesulfonamide IUPAC Name: N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-ethyl-N-[[(5R)-3-(p-tolyl)-2-isoxazolin-5-yl]methyl]quinoline-8-sulfonamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC(=NO1)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCN(C[C@H]1CC(=NO1)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-3-25(15-19-14-20(24-28-19)17-11-9-16(2)10-12-17)29(26,27)21-8-4-6-18-7-5-13-23-22(18)21/h4-13,19H,3,14-15H2,1-2H3/t19-/m1/s1