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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenylthiazol-2-yl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(4-phenylthiazol-2-yl)benzamide Formula: C21H23N4O3S2+ MolecularWeight: 443.56232

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-24-10-12-25(13-11-24)30(27,28)18-9-5-8-17(14-18)20(26)23-21-22-19(15-29-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,23,26)/p+1