3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide

Systemtic Name: 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(p-tolylsulfamoyl)benzamide CAS Name: 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(p-tolylsulfamoyl)benzamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-20-10-12-23(13-11-20)28-34(31,32)24-9-5-8-22(18-24)26(30)27-25(21-6-3-2-4-7-21)19-29-14-16-33-17-15-29/h2-13,18,25,28H,14-17,19H2,1H3,(H,27,30)/p+1/t25-/m1/s1