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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C18H22ClN5O5S MolecularWeight: 455.91578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O5S/c19-15-6-5-14(24(25)26)11-16(15)30(27,28)22-7-10-29-18-12-17(20-13-21-18)23-8-3-1-2-4-9-23/h5-6,11-13,22H,1-4,7-10H2