N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-5-sulfamoyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-5-sulfamoyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-5-sulfamoyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-methyl-5-sulfamoylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-5-sulfamoylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methyl-5-sulfamoyl-benzamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

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