4-(azepan-1-yl)-2-[(2-chlorophenyl)methylsulfonyl]benzenediazonium

Systemtic Name: 4-(azepan-1-yl)-2-[(2-chlorophenyl)methylsulfonyl]benzenediazonium Openeye Name: 4-(azepan-1-yl)-2-[(2-chlorophenyl)methylsulfonyl]benzenediazonium CAS Name: 4-(1-azepanyl)-2-[(2-chlorophenyl)methylsulfonyl]benzenediazonium IUPAC Name: 4-(azepan-1-yl)-2-[(2-chlorophenyl)methylsulfonyl]benzenediazonium Traditional Name: 4-(azepan-1-yl)-2-(2-chlorobenzyl)sulfonyl-benzenediazonium Formula: C19H21ClN3O2S+ MolecularWeight: 390.90694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)[N+]#N)S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)[N+]#N)S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN3O2S/c20-17-8-4-3-7-15(17)14-26(24,25)19-13-16(9-10-18(19)22-21)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12,14H2/q+1