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

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H20N4O4S/c1-2-23-13-20-21-19(23)14-5-3-6-15(11-14)22-28(24,25)16-7-8-17-18(12-16)27-10-4-9-26-17/h3,5-8,11-13,22H,2,4,9-10H2,1H3