N-(3,4-dichlorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dichlorophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dichlorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dichlorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dichlorophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H22Cl2N3O3S+ MolecularWeight: 455.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21Cl2N3O3S/c21-18-7-6-17(14-19(18)22)23-20(26)15-24-9-11-25(12-10-24)29(27,28)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2,(H,23,26)/p+1/b13-8+