2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-5-(4-methyl-1-piperazin-4-iumyl)-4-oxazolecarbonitrile IUPAC Name: 2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-methoxy-3-piperidinosulfonyl-phenyl)-5-(4-methylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4)C#N

InChI

InChI=1S/C21H27N5O4S/c1-24-10-12-25(13-11-24)21-17(15-22)23-20(30-21)16-6-7-18(29-2)19(14-16)31(27,28)26-8-4-3-5-9-26/h6-7,14H,3-5,8-13H2,1-2H3/p+1