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

Systemtic Name: 3-bromanyl-2-methyl-2-(phenylsulfonyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-(benzenesulfonyl)-3-bromo-2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoic acid CAS Name: 2-(benzenesulfonyl)-3-bromo-2-methyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(benzenesulfonyl)-3-bromo-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-besyl-3-bromo-2-methyl-3-[4-(2-piperidinoethoxy)phenyl]propionic acid Formula: C23H28BrNO5S MolecularWeight: 510.44112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5S/c1-23(22(26)27,31(28,29)20-8-4-2-5-9-20)21(24)18-10-12-19(13-11-18)30-17-16-25-14-6-3-7-15-25/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,26,27)