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

Systemtic Name: 4-chloranyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C18H24ClN4O2S+ MolecularWeight: 395.92676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O2S/c1-22-9-11-23(12-10-22)18(15-3-2-8-20-13-15)14-21-26(24,25)17-6-4-16(19)5-7-17/h2-8,13,18,21H,9-12,14H2,1H3/p+1/t18-/m1/s1