methyl 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H24BrNO3S MolecularWeight: 462.39986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24BrNO3S/c1-16-14-18(23)8-9-19(16)28-15-20(25)24-12-10-22(11-13-24,21(26)27-2)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3