N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C18H18N4O4S/c23-27(24,16-5-6-17-18(9-16)26-8-7-25-17)21-10-14-1-3-15(4-2-14)11-22-13-19-12-20-22/h1-6,9,12-13,21H,7-8,10-11H2