2-methoxy-2-methyl-3-(phenylsulfonyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6S/c1-24(30-2,23(26)27)22(32(28,29)21-9-5-3-6-10-21)19-11-13-20(14-12-19)31-18-17-25-15-7-4-8-16-25/h3,5-6,9-14,22H,4,7-8,15-18H2,1-2H3,(H,26,27)