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

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4

InChI

InChI=1S/C21H22N2O4S/c1-14(24)22-15-4-7-17(8-5-15)28-13-20(25)23-16-6-9-18-19(12-16)27-21(26-18)10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)(H,23,25)