N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylsulfamoyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylsulfamoyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylsulfamoyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(methylsulfamoyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(methylsulfamoyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(methylsulfamoyl)benzamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O5S2/c1-16-7-10-18(15-20(16)31(28,29)24-13-5-3-4-6-14-24)23-21(25)17-8-11-19(12-9-17)30(26,27)22-2/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,23,25)