N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,5-diethoxy-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,5-diethoxy-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,5-diethoxy-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2,5-diethoxybenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,5-diethoxybenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,5-diethoxy-benzenesulfonamide Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C22H32N4O5S/c1-3-29-18-9-10-19(30-4-2)20(15-18)32(27,28)25-11-14-31-22-16-21(23-17-24-22)26-12-7-5-6-8-13-26/h9-10,15-17,25H,3-8,11-14H2,1-2H3