N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chloranyl-3-nitro-phenyl)methanimine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chloranyl-3-nitro-phenyl)methanimine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chloro-3-nitro-phenyl)methanimine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-chloro-3-nitrophenyl)methanimine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chloro-3-nitrophenyl)methanimine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-chloro-3-nitro-benzylidene)amine Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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