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

Systemtic Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[(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=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H18N4O4S2/c1-22-12-19-20-18(22)27-14-5-3-13(4-6-14)21-28(23,24)15-7-8-16-17(11-15)26-10-2-9-25-16/h3-8,11-12,21H,2,9-10H2,1H3