4-[4-[(2R)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(2R)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(2R)-3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(2R)-3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H29N4O6S+ MolecularWeight: 465.54316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)O

InChI

InChI=1S/C21H28N4O6S/c1-15(26)16-4-3-5-18(10-16)31-14-17(27)12-24-6-8-25(9-7-24)32(29,30)19-11-20(21(22)28)23(2)13-19/h3-5,10-11,13,17,27H,6-9,12,14H2,1-2H3,(H2,22,28)/p+1/t17-/m1/s1