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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-methanoylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-formylphenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-formylphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-formylphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-formylphenoxy)acetamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=C(C=C3)C=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=C(C=C3)C=O

InChI

InChI=1S/C22H26N2O6S/c1-29-21-11-10-19(31(27,28)24-12-4-2-3-5-13-24)14-20(21)23-22(26)16-30-18-8-6-17(15-25)7-9-18/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,23,26)