3-(dimethylsulfamoyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 3-(dimethylsulfamoyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3-(dimethylsulfamoyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]benzamide CAS Name: 3-(dimethylsulfamoyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-(dimethylsulfamoyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl]benzamide Traditional Name: 3-(dimethylsulfamoyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]benzamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H26N4O4S/c1-23(2)29(26,27)18-7-3-5-16(13-18)20(25)22-15-19(17-6-4-8-21-14-17)24-9-11-28-12-10-24/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1