N-(2,3-dimethylphenyl)-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-keto-2-(4-mesylpiperazino)ethyl]piperazin-4-ium-1-yl]acetamide Formula: C21H34N5O4S+ MolecularWeight: 452.59076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H33N5O4S/c1-17-5-4-6-19(18(17)2)22-20(27)15-23-7-9-24(10-8-23)16-21(28)25-11-13-26(14-12-25)31(3,29)30/h4-6H,7-16H2,1-3H3,(H,22,27)/p+1