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

Systemtic Name: 2-methyl-2-(2-methylfuran-3-yl)sulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-methyl-2-[(2-methyl-3-furyl)sulfonyl]-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoic acid CAS Name: 2-methyl-2-[(2-methyl-3-furanyl)sulfonyl]-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-methyl-2-(2-methylfuran-3-yl)sulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-methyl-2-[(2-methyl-3-furyl)sulfonyl]-3-[4-(2-piperidinoethoxy)phenyl]propionic acid Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CO1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

InChI

InChI=1S/C22H29NO6S/c1-17-20(10-14-28-17)30(26,27)22(2,21(24)25)16-18-6-8-19(9-7-18)29-15-13-23-11-4-3-5-12-23/h6-10,14H,3-5,11-13,15-16H2,1-2H3,(H,24,25)