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

Systemtic Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c28-30(29,22-11-5-2-6-12-22)25-19-23(20-8-7-13-24-18-20)27-16-14-26(15-17-27)21-9-3-1-4-10-21/h1-13,18,23,25H,14-17,19H2/p+1/t23-/m1/s1