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

Systemtic Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2-morpholino-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(2-morpholino-3-pyridyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=C(N=CC=C3)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=C(N=CC=C3)N4CCOCC4)OC1

InChI

InChI=1S/C19H23N3O5S/c23-28(24,16-4-5-17-18(13-16)27-10-2-9-26-17)21-14-15-3-1-6-20-19(15)22-7-11-25-12-8-22/h1,3-6,13,21H,2,7-12,14H2