N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylsulfonylamino)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylsulfonylamino)benzamide Openeye Name: 3-(benzenesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-(benzenesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-(benzenesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-(benzenesulfonamido)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C27H31N3O4S/c1-34-24-15-13-21(14-16-24)26(30-17-6-3-7-18-30)20-28-27(31)22-9-8-10-23(19-22)29-35(32,33)25-11-4-2-5-12-25/h2,4-5,8-16,19,26,29H,3,6-7,17-18,20H2,1H3,(H,28,31)/p+1/t26-/m0/s1