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

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CN(N=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CN(N=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C19H19N3O4S/c23-27(24,17-7-8-18-19(11-17)26-10-4-9-25-18)21-13-15-12-20-22(14-15)16-5-2-1-3-6-16/h1-3,5-8,11-12,14,21H,4,9-10,13H2