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

Systemtic Name: N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-methyl-benzenesulfonamide Formula: C20H30N3O2S2+ MolecularWeight: 408.6011

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S2/c1-4-22-11-13-23(14-12-22)20(19-6-5-15-26-19)17(3)21-27(24,25)18-9-7-16(2)8-10-18/h5-10,15,17,20-21H,4,11-14H2,1-3H3/p+1/t17-,20-/m0/s1