[4-(azepan-1-ylsulfonyl)phenyl]-(2-chloranyl-4-methyl-phenyl)sulfonyl-azanide

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-chloranyl-4-methyl-phenyl)sulfonyl-azanide Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-chloro-4-methyl-phenyl)sulfonyl-azanide CAS Name: [4-(1-azepanylsulfonyl)phenyl]-(2-chloro-4-methylphenyl)sulfonylazanide IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-chloro-4-methylphenyl)sulfonylazanide Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-chloro-4-methyl-phenyl)sulfonyl-azanide Formula: C19H22ClN2O4S2- MolecularWeight: 441.97198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[N-]C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[N-]C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C19H22ClN2O4S2/c1-15-6-11-19(18(20)14-15)27(23,24)21-16-7-9-17(10-8-16)28(25,26)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3/q-1