2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6S/c1-27-17-6-4-14(10-16(17)23(25)26)12-30-13-20(24)22-15-5-7-18-19(11-15)29-21(28-18)8-2-3-9-21/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,24)