2-[[4-(4-bromanyl-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methyl-propanoic acid Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-(4-bromo-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methylpropanoic acid Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methyl-propionic acid Formula: C16H20BrNO4S MolecularWeight: 402.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)Br

InChI

InChI=1S/C16H20BrNO4S/c1-11-10-13(4-5-14(11)17)12-6-8-18(9-7-12)23(21,22)16(2,3)15(19)20/h4-6,10H,7-9H2,1-3H3,(H,19,20)