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

Systemtic Name: 4-[4-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C23H31N3O5S/c1-17(2)21-5-3-4-6-22(21)31-16-19(27)15-25-11-13-26(14-12-25)32(29,30)20-9-7-18(8-10-20)23(24)28/h3-10,17,19,27H,11-16H2,1-2H3,(H2,24,28)/p+1/t19-/m1/s1