N-[5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]benzenesulfonamide

Systemtic Name: N-[5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]benzenesulfonamide Openeye Name: N-[5-methyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)thiazol-2-yl]benzenesulfonamide CAS Name: N-[5-methyl-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiazolyl]benzenesulfonamide IUPAC Name: N-[5-methyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide Traditional Name: N-[5-methyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)thiazol-2-yl]benzenesulfonamide Formula: C20H22N5O3S2+ MolecularWeight: 444.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(N=C(S1)NS(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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