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

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

CC1=NC(=NN1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC(=NN1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

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