4-[5-(hydroxymethyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]benzenesulfonamide

Systemtic Name: 4-[5-(hydroxymethyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]benzenesulfonamide Openeye Name: 4-[5-(hydroxymethyl)-3-(4-nitrophenyl)isoxazol-4-yl]benzenesulfonamide CAS Name: 4-[5-(hydroxymethyl)-3-(4-nitrophenyl)-4-isoxazolyl]benzenesulfonamide IUPAC Name: 4-[5-(hydroxymethyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]benzenesulfonamide Traditional Name: 4-[5-methylol-3-(4-nitrophenyl)isoxazol-4-yl]benzenesulfonamide Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)CO)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c17-26(23,24)13-7-3-10(4-8-13)15-14(9-20)25-18-16(15)11-1-5-12(6-2-11)19(21)22/h1-8,20H,9H2,(H2,17,23,24)