4-[4-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)O

InChI

InChI=1S/C23H29N3O5S/c1-2-5-18-6-3-4-7-22(18)31-17-20(27)16-25-12-14-26(15-13-25)32(29,30)21-10-8-19(9-11-21)23(24)28/h2-4,6-11,20,27H,1,5,12-17H2,(H2,24,28)/p+1/t20-/m0/s1