diethyl-[(1S)-2-[[3-(ethylsulfonylamino)phenyl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[[3-(ethylsulfonylamino)phenyl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[[3-(ethylsulfonylamino)phenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[[3-(ethylsulfonylamino)benzoyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[3-(esylamino)benzoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC(=CC=C1)NS(=O)(=O)CC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-4-24(5-2)20(17-11-8-7-9-12-17)16-22-21(25)18-13-10-14-19(15-18)23-28(26,27)6-3/h7-15,20,23H,4-6,16H2,1-3H3,(H,22,25)/p+1/t20-/m1/s1