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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methanoylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-formylphenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-formylphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-formylphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-formylphenoxy)acetamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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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=O

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c22-18-10-9-17(30(27,28)24-11-5-1-2-6-12-24)13-19(18)23-21(26)15-29-20-8-4-3-7-16(20)14-25/h3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,23,26)