N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-22(2,29-19-12-10-17(23)11-13-19)21(26)24-18-8-7-9-20(16-18)30(27,28)25-14-5-3-4-6-15-25/h7-13,16H,3-6,14-15H2,1-2H3,(H,24,26)