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

Systemtic Name: 3,4-dimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[4-(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=C(C=C2)S(=O)(=O)NC3=NCCCCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S2/c1-28-18-12-11-17(14-19(18)29-2)31(26,27)22-15-7-9-16(10-8-15)30(24,25)23-20-6-4-3-5-13-21-20/h7-12,14,22H,3-6,13H2,1-2H3,(H,21,23)