N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(3-fluorophenyl)thiazol-2-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[4-(3-fluorophenyl)-2-thiazolyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[4-(3-fluorophenyl)thiazol-2-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H22FN4O3S2+ MolecularWeight: 461.552783

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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=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3S2/c1-25-8-10-26(11-9-25)31(28,29)18-7-3-5-16(13-18)20(27)24-21-23-19(14-30-21)15-4-2-6-17(22)12-15/h2-7,12-14H,8-11H2,1H3,(H,23,24,27)/p+1