N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]isonipecotamide Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23BrN2O4S/c1-14-10-16(23)2-5-20(14)30-12-21(26)25-8-6-15(7-9-25)22(27)24-17-3-4-18-19(11-17)29-13-28-18/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,24,27)