N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H26N4O5S/c25-30(26,16-5-6-17-18(13-16)28-12-11-27-17)23-7-10-29-20-14-19(21-15-22-20)24-8-3-1-2-4-9-24/h5-6,13-15,23H,1-4,7-12H2