3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[4-(2-pyridinyl)-2-thiazolyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide Formula: C20H22N5O3S2+ MolecularWeight: 444.55038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

InChI

InChI=1S/C20H21N5O3S2/c1-24-9-11-25(12-10-24)30(27,28)16-6-4-5-15(13-16)19(26)23-20-22-18(14-29-20)17-7-2-3-8-21-17/h2-8,13-14H,9-12H2,1H3,(H,22,23,26)/p+1