N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(2,3-dimethoxybenzylidene)amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H28N4O5S/c1-17-7-9-19(10-8-17)32(28,29)26-13-11-25(12-14-26)16-21(27)24-23-15-18-5-4-6-20(30-2)22(18)31-3/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)/p+1