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

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-23-9-11-24(12-10-23)18(16-5-4-8-21-14-16)15-22-29(25,26)17-6-7-19(27-2)20(13-17)28-3/h4-8,13-14,18,22H,9-12,15H2,1-3H3/p+1/t18-/m1/s1