2-[5-(azepan-1-ylsulfonyl)-4-chloranyl-2-methyl-phenoxy]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)-4-chloranyl-2-methyl-phenoxy]-N-cyclohexyl-ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methyl-phenoxy]-N-cyclohexyl-acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methyl-phenoxy]-N-cyclohexyl-acetamide Formula: C21H31ClN2O4S MolecularWeight: 442.99984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H31ClN2O4S/c1-16-13-18(22)20(29(26,27)24-11-7-2-3-8-12-24)14-19(16)28-15-21(25)23-17-9-5-4-6-10-17/h13-14,17H,2-12,15H2,1H3,(H,23,25)