(E)-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenyl-ethenesulfonamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c25-28(26,15-10-18-8-4-3-5-9-18)23-11-14-27-20-16-19(21-17-22-20)24-12-6-1-2-7-13-24/h3-5,8-10,15-17,23H,1-2,6-7,11-14H2/b15-10+