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

Systemtic Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(C)C1=NC=CC(=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H21N3O4S/c1-20(2)17-10-13(6-7-18-17)12-19-25(21,22)14-4-5-15-16(11-14)24-9-3-8-23-15/h4-7,10-11,19H,3,8-9,12H2,1-2H3