N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: N-[(1S,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide Traditional Name: N-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]benzenesulfonamide Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=CS2)[C@H](C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H27N3O2S2/c1-3-21-11-13-22(14-12-21)19(18-10-7-15-25-18)16(2)20-26(23,24)17-8-5-4-6-9-17/h4-10,15-16,19-20H,3,11-14H2,1-2H3/p+1/t16-,19-/m0/s1