N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(2,4,6-trimethylphenyl)sulfanyl-acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-2-[(2,4,6-trimethylphenyl)thio]acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(2,4,6-trimethylphenyl)sulfanylacetamide Traditional Name: 2-(mesitylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4)C

InChI

InChI=1S/C22H25NO3S/c1-14-10-15(2)21(16(3)11-14)27-13-20(24)23-17-6-7-18-19(12-17)26-22(25-18)8-4-5-9-22/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,24)