N-[[3-(3-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-2-sulfonamide

Systemtic Name: N-[[3-(3-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-2-sulfonamide Openeye Name: N-[[3-(3-cyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]naphthalene-2-sulfonamide CAS Name: N-[[3-(3-cyanophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-2-naphthalenesulfonamide IUPAC Name: N-[[3-(3-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-2-sulfonamide Traditional Name: N-[[3-(3-cyanophenyl)-2-isoxazolin-5-yl]methyl]naphthalene-2-sulfonamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC(=C2)C#N)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1C(ON=C1C2=CC=CC(=C2)C#N)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O3S/c22-13-15-4-3-7-18(10-15)21-12-19(27-24-21)14-23-28(25,26)20-9-8-16-5-1-2-6-17(16)11-20/h1-11,19,23H,12,14H2