3-(4-chlorophenyl)sulfonyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-chlorophenyl)sulfonyl-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propan-1-one Formula: C22H26ClN2O3S+ MolecularWeight: 433.97144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O3S/c23-20-8-10-21(11-9-20)29(27,28)18-12-22(26)25-16-14-24(15-17-25)13-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2/p+1/b7-4+