methyl 1-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 1-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxylate Openeye Name: methyl 1-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]cyclopent-3-ene-1-carboxylate CAS Name: 1-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxylate Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonylcyclopent-3-ene-1-carboxylic acid methyl ester Formula: C19H24BrNO4S MolecularWeight: 442.36716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO4S/c1-14-13-16(5-6-17(14)20)15-7-11-21(12-8-15)26(23,24)19(18(22)25-2)9-3-4-10-19/h3-6,13,15H,7-12H2,1-2H3