N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H29N3O5S/c1-3-24-10-12-25(13-11-24)19(18-6-4-5-7-20(18)28-2)15-23-31(26,27)17-8-9-21-22(14-17)30-16-29-21/h4-9,14,19,23H,3,10-13,15-16H2,1-2H3/p+1/t19-/m1/s1