N-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3CN4C=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3CN4C=CC=N4)OC1

InChI

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