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

Systemtic Name: (E)-N-[2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-chloro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-(2-thienyl)acrylamide Formula: C18H21ClN3O3S2+ MolecularWeight: 426.96064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S2/c1-21-8-10-22(11-9-21)27(24,25)15-5-6-16(19)17(13-15)20-18(23)7-4-14-3-2-12-26-14/h2-7,12-13H,8-11H2,1H3,(H,20,23)/p+1/b7-4+