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

Systemtic Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C4=NNC(=N4)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C4=NNC(=N4)C5CC5)OC1

InChI

InChI=1S/C20H20N4O4S/c25-29(26,14-8-9-17-18(12-14)28-11-3-10-27-17)24-16-5-2-1-4-15(16)20-21-19(22-23-20)13-6-7-13/h1-2,4-5,8-9,12-13,24H,3,6-7,10-11H2,(H,21,22,23)