3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4-methyl-benzoic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-15-7-8-17(21(23)24)14-20(15)28(25,26)22-13-5-3-4-6-19(22)16-9-11-18(27-2)12-10-16/h7-12,14,19H,3-6,13H2,1-2H3,(H,23,24)