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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-ethyl-6-methylphenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-ethyl-6-methylphenyl)benzamide Traditional Name: 4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

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

InChI

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