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

Systemtic Name: 4-[4-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C24H34N3O5S+ MolecularWeight: 476.60886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

InChI

InChI=1S/C24H33N3O5S/c1-24(2,3)21-6-4-5-7-22(21)32-17-19(28)16-26-12-14-27(15-13-26)33(30,31)20-10-8-18(9-11-20)23(25)29/h4-11,19,28H,12-17H2,1-3H3,(H2,25,29)/p+1/t19-/m1/s1