3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H24N5O3S2+ MolecularWeight: 458.57696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c1-25-10-12-26(13-11-25)31(28,29)18-9-5-8-17(15-18)20(27)22-21-24-23-19(30-21)14-16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,22,24,27)/p+1