N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexanecarboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexanecarboxamide Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H35N3O4S/c1-3-25-14-4-5-19(25)16-23-22(26)18-8-6-17(7-9-18)15-24-30(27,28)21-12-10-20(29-2)11-13-21/h10-13,17-19,24H,3-9,14-16H2,1-2H3,(H,23,26)/p+1/t17?,18?,19-/m0/s1