N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H18N4O4S/c1-22-12-19-20-18(22)13-4-2-5-14(10-13)21-27(23,24)15-6-7-16-17(11-15)26-9-3-8-25-16/h2,4-7,10-12,21H,3,8-9H2,1H3