3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-[4-[2-(1-azepanyl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCN2CCCCCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCN2CCCCCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33NO6S/c1-25(24(27)28,33(29,30)23-13-11-21(31-2)12-14-23)19-20-7-9-22(10-8-20)32-18-17-26-15-5-3-4-6-16-26/h7-14H,3-6,15-19H2,1-2H3,(H,27,28)