methyl 1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-bromo-3-methyl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromo-3-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonylisonipecotic acid methyl ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)Br

InChI

InChI=1S/C14H18BrNO4S/c1-10-9-12(3-4-13(10)15)21(18,19)16-7-5-11(6-8-16)14(17)20-2/h3-4,9,11H,5-8H2,1-2H3