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

Systemtic Name: (E)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-(2-thienyl)acrylamide Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H23N3O4S2/c1-21-9-11-22(12-10-21)28(24,25)16-6-7-18(26-2)17(14-16)20-19(23)8-5-15-4-3-13-27-15/h3-8,13-14H,9-12H2,1-2H3,(H,20,23)/p+1/b8-5+