3-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-morpholinosulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[4-(4-morpholinylsulfonyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-morpholinosulfonylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C17H25N4O5S2+ MolecularWeight: 429.5342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H24N4O5S2/c18-6-1-7-19-8-10-20(11-9-19)27(22,23)16-2-4-17(5-3-16)28(24,25)21-12-14-26-15-13-21/h2-5H,1,7-15H2/p+1