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

Systemtic Name: [4-(4-bromanyl-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2,2-dimethylpropanoate Openeye Name: [4-(4-bromo-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(4-bromo-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl ester IUPAC Name: [4-(4-bromo-3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(4-bromo-3-methyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl ester Formula: C17H22BrNO4S MolecularWeight: 416.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4S/c1-12-11-14(5-6-15(12)18)13-7-9-19(10-8-13)24(21,22)23-16(20)17(2,3)4/h5-7,11H,8-10H2,1-4H3