2-[4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C23H36N5O4S+ MolecularWeight: 478.62804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

InChI

InChI=1S/C23H35N5O4S/c1-4-7-24-22(29)17-25-8-10-26(11-9-25)18-23(30)27-12-14-28(15-13-27)33(31,32)21-16-19(2)5-6-20(21)3/h4-6,16H,1,7-15,17-18H2,2-3H3,(H,24,29)/p+1