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

Systemtic Name: N-[(2S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@H](CNS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H28N4O2S/c29-31(30,23-11-5-2-6-12-23)26-19-24(22-10-7-13-25-18-22)28-16-14-27(15-17-28)20-21-8-3-1-4-9-21/h1-13,18,24,26H,14-17,19-20H2/p+1/t24-/m1/s1