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

Systemtic Name: 3,4-dimethoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3)OC

InChI

InChI=1S/C20H25N3O6S2/c1-28-18-11-10-17(14-19(18)29-2)30(24,25)22-15-7-6-8-16(13-15)31(26,27)23-20-9-4-3-5-12-21-20/h6-8,10-11,13-14,22H,3-5,9,12H2,1-2H3,(H,21,23)