5-(azepan-1-ylsulfonyl)-N-(3-ethanoylphenyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3-ethanoylphenyl)-2-methyl-benzamide Openeye Name: N-(3-acetylphenyl)-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide CAS Name: N-(3-acetylphenyl)-5-(1-azepanylsulfonyl)-2-methylbenzamide IUPAC Name: N-(3-acetylphenyl)-5-(azepan-1-ylsulfonyl)-2-methylbenzamide Traditional Name: N-(3-acetylphenyl)-5-(azepan-1-ylsulfonyl)-2-methyl-benzamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-16-10-11-20(29(27,28)24-12-5-3-4-6-13-24)15-21(16)22(26)23-19-9-7-8-18(14-19)17(2)25/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,23,26)