1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]nipecotic acid Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H18BrNO3S/c1-10-7-12(16)4-5-13(10)21-9-14(18)17-6-2-3-11(8-17)15(19)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,19,20)