(4-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: (4-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (4-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (4-methoxyphenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27NO5S/c1-27-19-9-11-20(12-10-19)28-22(24)15-8-18-6-13-21(14-7-18)29(25,26)23-16-4-2-3-5-17-23/h6-7,9-14H,2-5,8,15-17H2,1H3