(E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-(3-methylthiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-(3-methylthiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-(3-methyl-2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-(3-methyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(3-methylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-(3-methyl-2-thienyl)acrylamide Formula: C24H33N4O3S2+ MolecularWeight: 489.67382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H32N4O3S2/c1-19-10-17-32-23(19)8-9-24(29)25-21-18-20(33(30,31)28-11-4-3-5-12-28)6-7-22(21)27-15-13-26(2)14-16-27/h6-10,17-18H,3-5,11-16H2,1-2H3,(H,25,29)/p+1/b9-8+