4,5-dimethoxy-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 4,5-dimethoxy-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 4,5-dimethoxy-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 4,5-dimethoxy-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 4,5-dimethoxy-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 4,5-dimethoxy-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC)OC

InChI

InChI=1S/C21H27N3O6S2/c1-15-12-18(29-2)19(30-3)14-20(15)32(27,28)23-16-8-7-9-17(13-16)31(25,26)24-21-10-5-4-6-11-22-21/h7-9,12-14,23H,4-6,10-11H2,1-3H3,(H,22,24)