N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(2-pyrazinyloxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OC4=NC=CN=C4)OC1

InChI

InChI=1S/C19H17N3O5S/c23-28(24,16-5-6-17-18(12-16)26-10-2-9-25-17)22-14-3-1-4-15(11-14)27-19-13-20-7-8-21-19/h1,3-8,11-13,22H,2,9-10H2