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

Systemtic Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-thienyl)acrylamide Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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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=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-20-10-12-21(13-11-20)26(23,24)17-7-4-15(5-8-17)19-18(22)9-6-16-3-2-14-25-16/h2-9,14H,10-13H2,1H3,(H,19,22)/p+1/b9-6+