N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloranyl-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloranyl-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloro-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-chlorobenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chlorobenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloro-benzenesulfonamide Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O3S/c19-15-6-5-7-16(12-15)27(24,25)22-8-11-26-18-13-17(20-14-21-18)23-9-3-1-2-4-10-23/h5-7,12-14,22H,1-4,8-11H2