N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanimidate

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanimidate CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetimidate Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N=C(C[NH+]3CCN(CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N=C(C[NH+]3CCN(CC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H24N4O3S2/c1-30(27,28)17-7-8-18-19(13-17)29-21(22-18)23-20(26)15-25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,23,26)