N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-cyano-benzenesulfonamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O4S2/c1-16-6-9-18(22-28(24,25)19-10-7-17(15-21)8-11-19)14-20(16)29(26,27)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3