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

Systemtic Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-21-10-12-22(13-11-21)18(16-6-5-9-19-14-16)15-20-25(23,24)17-7-3-2-4-8-17/h2-9,14,18,20H,10-13,15H2,1H3/p+1/t18-/m1/s1