1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-N-(2-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-N-(2-methoxyphenyl)isonipecotamide Formula: C23H27BrN2O3S MolecularWeight: 491.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C23H27BrN2O3S/c1-15-13-21(16(2)12-18(15)24)30-14-22(27)26-10-8-17(9-11-26)23(28)25-19-6-4-5-7-20(19)29-3/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,25,28)