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

Systemtic Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C25H31N5O3S+2 MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H29N5O3S/c1-28(19-21-7-3-2-4-8-21)34(32,33)23-12-10-22(11-13-23)27-25(31)20-29-15-17-30(18-16-29)24-9-5-6-14-26-24/h2-14H,15-20H2,1H3,(H,27,31)/p+2