N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O4S/c1-2-24-10-12-25(13-11-24)20(18-6-4-3-5-7-18)17-23-30(26,27)19-8-9-21-22(16-19)29-15-14-28-21/h3-9,16,20,23H,2,10-15,17H2,1H3/p+1/t20-/m1/s1