2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-ylsulfonyl-propanoic acid

Systemtic Name: 2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-ylsulfonyl-propanoic acid Openeye Name: 2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]-2-(2-thienylsulfonyl)propanoic acid CAS Name: 2-methyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2-thiophen-2-ylsulfonylpropanoic acid IUPAC Name: 2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-ylsulfonylpropanoic acid Traditional Name: 2-methyl-3-[4-(2-piperidinoethoxy)phenyl]-2-(2-thienylsulfonyl)propionic acid Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCN2CCCCC2)(C(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCN2CCCCC2)(C(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27NO5S2/c1-21(20(23)24,29(25,26)19-6-5-15-28-19)16-17-7-9-18(10-8-17)27-14-13-22-11-3-2-4-12-22/h5-10,15H,2-4,11-14,16H2,1H3,(H,23,24)