methyl 4-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylate Openeye Name: methyl 4-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]-1-methyl-piperidine-4-carboxylate CAS Name: 4-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]-1-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonyl-1-methylpiperidine-4-carboxylate Traditional Name: 4-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonyl-1-methyl-isonipecotic acid methyl ester Formula: C20H29BrN2O4S MolecularWeight: 473.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)OC)Br

InChI

InChI=1S/C20H29BrN2O4S/c1-15-14-17(4-5-18(15)21)16-6-10-23(11-7-16)28(25,26)20(19(24)27-3)8-12-22(2)13-9-20/h4-5,14,16H,6-13H2,1-3H3