N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H29N5O3S+2 MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H27N5O3S/c1-16-7-8-17(14-18(16)29(27,28)23(2)3)22-20(26)15-24-10-12-25(13-11-24)19-6-4-5-9-21-19/h4-9,14H,10-13,15H2,1-3H3,(H,22,26)/p+2