4-[4-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

InChI

InChI=1S/C22H29N3O5S/c1-2-17-3-7-20(8-4-17)30-16-19(26)15-24-11-13-25(14-12-24)31(28,29)21-9-5-18(6-10-21)22(23)27/h3-10,19,26H,2,11-16H2,1H3,(H2,23,27)/p+1/t19-/m1/s1