5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C20H25N5O3S/c1-2-23-11-13-24(14-12-23)20-18(15-21)22-19(28-20)16-5-7-17(8-6-16)29(26,27)25-9-3-4-10-25/h5-8H,2-4,9-14H2,1H3/p+1