N-[(2-chlorophenyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3S/c22-20-9-5-4-8-19(20)16-23-21(26)17-24-11-13-25(14-12-24)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15H,11-14,16-17H2,(H,23,26)/p+1/b15-10+