1-(4-ethylsulfonyl-2-nitro-phenyl)-1,4-diazepane hydrochloride

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)-1,4-diazepane hydrochloride Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)-1,4-diazepane hydrochloride CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-1,4-diazepane hydrochloride IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-1,4-diazepane hydrochloride Traditional Name: 1-(4-esyl-2-nitro-phenyl)-1,4-diazepane hydrochloride Formula: C13H20ClN3O4S MolecularWeight: 349.8336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-].Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N3O4S.ClH/c1-2-21(19,20)11-4-5-12(13(10-11)16(17)18)15-8-3-6-14-7-9-15;/h4-5,10,14H,2-3,6-9H2,1H3;1H