N-(4-methylsulfonyl-2-nitro-phenyl)spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-5-spiro[1,3-benzodioxole-2,1'-cyclopentane]amine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-amine Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-27(23,24)13-5-6-14(15(11-13)20(21)22)19-12-4-7-16-17(10-12)26-18(25-16)8-2-3-9-18/h4-7,10-11,19H,2-3,8-9H2,1H3