(2S)-1-(4-methylphenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H29N5O3S/c1-17-5-8-19(9-6-17)31(29,30)27-11-3-4-20(27)22(28)24-18-7-10-21(23-16-18)26-14-12-25(2)13-15-26/h5-10,16,20H,3-4,11-15H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1