2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-(4-methyl-1-piperazin-4-iumyl)-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)acrylonitrile Formula: C14H17ClN3O2S+ MolecularWeight: 326.82168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O2S/c1-17-6-8-18(9-7-17)11-14(10-16)21(19,20)13-4-2-12(15)3-5-13/h2-5,11H,6-9H2,1H3/p+1