diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-methylsulfonylphenyl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-methylsulfonylphenyl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-methylsulfonylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-methylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-2-[(3-mesylbenzoyl)amino]-1-(3-methoxyphenyl)ethyl]ammonium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-5-23(6-2)20(16-9-7-11-18(13-16)27-3)15-22-21(24)17-10-8-12-19(14-17)28(4,25)26/h7-14,20H,5-6,15H2,1-4H3,(H,22,24)/p+1/t20-/m1/s1