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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(2-ethyl-6-methyl-phenyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methyl-phenyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methyl-phenyl)benzamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S/c1-3-17-10-8-9-16(2)21(17)24-22(26)19-15-18(11-12-20(19)23)29(27,28)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26)