3-(azepan-1-ylsulfonyl)-N-[2-(4-chloranylphenoxy)ethyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chloranylphenoxy)ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-benzamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O5S/c1-29-20-11-6-17(16-21(20)31(27,28)25-13-4-2-3-5-14-25)22(26)24-12-15-30-19-9-7-18(23)8-10-19/h6-11,16H,2-5,12-15H2,1H3,(H,24,26)