N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-methanoylphenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-methanoylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-formylphenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-formylphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-formylphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-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=C(C=C3)C=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)C=O

InChI

InChI=1S/C21H23ClN2O5S/c22-19-10-9-18(30(27,28)24-11-3-1-2-4-12-24)13-20(19)23-21(26)15-29-17-7-5-16(14-25)6-8-17/h5-10,13-14H,1-4,11-12,15H2,(H,23,26)