2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]propanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[3-[2-(1-piperidyl)ethoxy]phenyl]propanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[3-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[3-(2-piperidinoethoxy)phenyl]propionic acid Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)OCCN2CCCCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(CC1=CC(=CC=C1)OCCN2CCCCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31NO6S/c1-24(23(26)27,32(28,29)22-11-9-20(30-2)10-12-22)18-19-7-6-8-21(17-19)31-16-15-25-13-4-3-5-14-25/h6-12,17H,3-5,13-16,18H2,1-2H3,(H,26,27)