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

Systemtic Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=NN=C1SC2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H18N4O4S2/c1-22-12-19-20-18(22)27-17-6-3-2-5-14(17)21-28(23,24)13-7-8-15-16(11-13)26-10-4-9-25-15/h2-3,5-8,11-12,21H,4,9-10H2,1H3