(2S)-2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)ethanamide

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)ethanamide Openeye Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide CAS Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide IUPAC Name: (2S)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide Traditional Name: (2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[piperonyl-[2-(2-thienyl)acetyl]amino]acetamide Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=O)NC2CCCCC2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C29H32N2O5S/c1-34-23-10-5-7-21(16-23)28(29(33)30-22-8-3-2-4-9-22)31(27(32)17-24-11-6-14-37-24)18-20-12-13-25-26(15-20)36-19-35-25/h5-7,10-16,22,28H,2-4,8-9,17-19H2,1H3,(H,30,33)/t28-/m0/s1