5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[3-(4-morpholin-4-iumyl)propylamino]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC[NH+]4CCOCC4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C21H27N5O4S/c22-16-19-21(23-8-3-9-25-12-14-29-15-13-25)30-20(24-19)17-4-6-18(7-5-17)31(27,28)26-10-1-2-11-26/h4-7,23H,1-3,8-15H2/p+1