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

Systemtic Name: 2,4,5-trimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 2,4,5-trimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 2,4,5-trimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 2,4,5-trimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 2,4,5-trimethoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3)OC)OC

InChI

InChI=1S/C22H27N3O6S/c1-29-18-14-20(31-3)19(30-2)13-17(18)22(26)24-15-8-10-16(11-9-15)32(27,28)25-21-7-5-4-6-12-23-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,25)(H,24,26)