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

Systemtic Name: 2-(4-bromophenyl)sulfonyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-(4-bromophenyl)sulfonyl-2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoic acid CAS Name: 2-(4-bromophenyl)sulfonyl-2-methyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(4-bromophenyl)sulfonyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-brosyl-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(CC1=CC=C(C=C1)OCCN2CCCCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5S/c1-23(22(26)27,31(28,29)21-11-7-19(24)8-12-21)17-18-5-9-20(10-6-18)30-16-15-25-13-3-2-4-14-25/h5-12H,2-4,13-17H2,1H3,(H,26,27)