4-ethanoyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-acetyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN3C=NC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2CN3C=NC=N3

InChI

InChI=1S/C18H18N4O3S/c1-14(23)15-6-8-18(9-7-15)26(24,25)21-10-16-4-2-3-5-17(16)11-22-13-19-12-20-22/h2-9,12-13,21H,10-11H2,1H3