(E)-3-(2-methoxy-5-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H27N3O4S/c1-17-4-10-21(29-3)18(16-17)5-11-22(26)23-19-6-8-20(9-7-19)30(27,28)25-14-12-24(2)13-15-25/h4-11,16H,12-15H2,1-3H3,(H,23,26)/p+1/b11-5+