N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine

Systemtic Name: N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine Openeye Name: N-(4-morpholinosulfonyl-2-nitro-phenyl)spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine CAS Name: N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-5-spiro[1,3-benzodioxole-2,1'-cyclohexane]amine IUPAC Name: N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-amine Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c26-25(27)19-15-17(33(28,29)24-10-12-30-13-11-24)5-6-18(19)23-16-4-7-20-21(14-16)32-22(31-20)8-2-1-3-9-22/h4-7,14-15,23H,1-3,8-13H2