N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chloranyl-5-nitro-phenyl)methanimine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chloranyl-5-nitro-phenyl)methanimine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chloro-5-nitro-phenyl)methanimine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(2-chloro-5-nitrophenyl)methanimine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-chloro-5-nitrophenyl)methanimine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-chloro-5-nitro-benzylidene)amine Formula: C19H20ClN3O4S MolecularWeight: 421.8978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O4S/c20-19-10-7-17(23(24)25)13-15(19)14-21-16-5-8-18(9-6-16)28(26,27)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2