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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3S/c1-18-7-6-10-21(19(18)2)23-22(26)17-24-12-14-25(15-13-24)29(27,28)16-11-20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3,(H,23,26)/p+1/b16-11+