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

Systemtic Name: 3-acetamido-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 3-acetamido-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 3-acetamido-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 3-acetamido-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 3-acetamido-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C21H24N4O4S/c1-15(26)23-17-8-5-7-16(13-17)21(27)24-18-9-6-10-19(14-18)30(28,29)25-20-11-3-2-4-12-22-20/h5-10,13-14H,2-4,11-12H2,1H3,(H,22,25)(H,23,26)(H,24,27)