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

Systemtic Name: 3-[4-[1-(azepan-2-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-[4-[1-(azepan-2-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-[4-[1-(2-azepanyl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-[4-[1-(azepan-2-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-[4-[1-(azepan-2-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(C1CCCCCN1)OC2=CC=C(C=C2)CC(C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1CCCCCN1)OC2=CC=C(C=C2)CC(C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33NO6S/c1-18(23-7-5-4-6-16-26-23)32-21-10-8-19(9-11-21)17-25(2,24(27)28)33(29,30)22-14-12-20(31-3)13-15-22/h8-15,18,23,26H,4-7,16-17H2,1-3H3,(H,27,28)