(E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylamide Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-23-12-14-24(15-13-23)28(26,27)18-9-7-17(8-10-18)22-20(25)11-6-16-4-2-3-5-19(16)21/h2-11H,12-15H2,1H3,(H,22,25)/p+1/b11-6+