3-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-ethyl-6-methylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3S/c1-3-18-11-8-10-17(2)21(18)23-22(25)19-12-9-13-20(16-19)28(26,27)24-14-6-4-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25)