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

Systemtic Name: (2-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (2-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (2-methoxyphenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27NO5S/c1-27-20-8-4-5-9-21(20)28-22(24)15-12-18-10-13-19(14-11-18)29(25,26)23-16-6-2-3-7-17-23/h4-5,8-11,13-14H,2-3,6-7,12,15-17H2,1H3