(2R)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]pipecolinamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCC[C@@H]3C(=O)N

InChI

InChI=1S/C20H30N4O4S/c1-15-6-7-16(2)18(13-15)29(27,28)23-11-9-22(10-12-23)14-19(25)24-8-4-3-5-17(24)20(21)26/h6-7,13,17H,3-5,8-12,14H2,1-2H3,(H2,21,26)/p+1/t17-/m1/s1