1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-N-(2-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-N-(2-methoxyphenyl)isonipecotamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H25BrN2O3S/c1-15-13-17(23)7-8-20(15)29-14-21(26)25-11-9-16(10-12-25)22(27)24-18-5-3-4-6-19(18)28-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,27)