(E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-(p-tolyl)acrylamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C=CC4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)/C=C/C4=CC=C(C=C4)C

InChI

InChI=1S/C26H34N4O4S/c1-3-28-12-14-29(15-13-28)25-10-9-23(35(32,33)30-16-18-34-19-17-30)20-24(25)27-26(31)11-8-22-6-4-21(2)5-7-22/h4-11,20H,3,12-19H2,1-2H3,(H,27,31)/p+1/b11-8+