N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-4-methyl-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-4-methyl-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-chloro-4-methylbenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-4-methylbenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-chloro-4-methyl-benzenesulfonamide Formula: C19H23ClN2O4S2 MolecularWeight: 442.97992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C19H23ClN2O4S2/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/h6-11,14,21H,2-5,12-13H2,1H3