N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethoxy)benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethoxy)benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethoxy)benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(2-methoxyethoxy)benzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-methoxyethoxy)benzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethoxy)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=C2)OCCOC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6S2/c1-18-7-8-19(17-22(18)32(27,28)24-13-5-3-4-6-14-24)23-31(25,26)21-11-9-20(10-12-21)30-16-15-29-2/h7-12,17,23H,3-6,13-16H2,1-2H3