N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(phenylsulfonylamino)benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(phenylsulfonylamino)benzamide Openeye Name: 4-(benzenesulfonamido)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 4-(benzenesulfonamido)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 4-(benzenesulfonamido)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-(benzenesulfonamido)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-27-13-15-28(16-14-27)22-12-11-20(17-24-22)25-23(29)18-7-9-19(10-8-18)26-32(30,31)21-5-3-2-4-6-21/h2-12,17,26H,13-16H2,1H3,(H,25,29)/p+1