3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid Openeye Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid CAS Name: 3-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid Traditional Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-26-17-11-9-15(10-12-17)19-8-3-2-4-13-21(19)27(24,25)18-7-5-6-16(14-18)20(22)23/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H,22,23)