N-(4-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide

Systemtic Name: N-(4-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide Openeye Name: N-(4-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide CAS Name: N-(4-acetamidophenyl)-5-(1-azepanylsulfonyl)-2-methylbenzamide IUPAC Name: N-(4-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methylbenzamide Traditional Name: N-(4-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-16-7-12-20(30(28,29)25-13-5-3-4-6-14-25)15-21(16)22(27)24-19-10-8-18(9-11-19)23-17(2)26/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)(H,24,27)