N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]naphthalene-2-sulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]naphthalene-2-sulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]naphthalene-2-sulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-naphthalenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]naphthalene-2-sulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]naphthalene-2-sulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H26N4O3S/c27-30(28,20-10-9-18-7-3-4-8-19(18)15-20)25-11-14-29-22-16-21(23-17-24-22)26-12-5-1-2-6-13-26/h3-4,7-10,15-17,25H,1-2,5-6,11-14H2