N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-4-methyl-benzenesulfonamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)C)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-3-23-11-13-24(14-12-23)20(18-5-4-10-21-15-18)16-22-27(25,26)19-8-6-17(2)7-9-19/h4-10,15,20,22H,3,11-14,16H2,1-2H3/p+1/t20-/m1/s1