N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-cyanophenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-cyanophenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-cyanophenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-cyanophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-cyanophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-cyanophenoxy)acetamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22ClN3O4S/c22-18-10-9-17(30(27,28)25-11-5-1-2-6-12-25)13-19(18)24-21(26)15-29-20-8-4-3-7-16(20)14-23/h3-4,7-10,13H,1-2,5-6,11-12,15H2,(H,24,26)