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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=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)23-30(26,27)19-11-8-17(9-12-19)21(25)22-2/h7-12,15,23H,3-6,13-14H2,1-2H3,(H,22,25)