N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-methyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-methyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-methyl-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-methyl-benzenesulfonamide Formula: C22H30N2O6S2 MolecularWeight: 482.6134

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=C2C)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2C)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N2O6S2/c1-16-9-10-18(14-22(16)32(27,28)24-11-7-5-6-8-12-24)23-31(25,26)21-15-20(30-4)19(29-3)13-17(21)2/h9-10,13-15,23H,5-8,11-12H2,1-4H3