2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[4-(4-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C25H29N4O5S+ MolecularWeight: 497.58656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H28N4O5S/c26-17-19-4-7-21(8-5-19)35(31,32)29-14-12-28(13-15-29)18-24(30)27-20-6-9-22-23(16-20)34-25(33-22)10-2-1-3-11-25/h4-9,16H,1-3,10-15,18H2,(H,27,30)/p+1