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

Systemtic Name: 2-methyl-5-methylsulfonyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 2-methyl-5-methylsulfonyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide CAS Name: 2-methyl-5-methylsulfonyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 2-methyl-5-methylsulfonyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 5-mesyl-2-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C21H25N3O5S2/c1-15-10-11-17(30(2,26)27)14-19(15)21(25)23-16-7-6-8-18(13-16)31(28,29)24-20-9-4-3-5-12-22-20/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,22,24)(H,23,25)