N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25N3O4S/c1-17-10-11-19(14-21(17)30(27,28)25-12-6-2-3-7-13-25)24-22(26)16-29-20-9-5-4-8-18(20)15-23/h4-5,8-11,14H,2-3,6-7,12-13,16H2,1H3,(H,24,26)