diethyl-[(2S)-1-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(methylsulfamoyl)-2-nitro-anilino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[4-(methylsulfamoyl)-2-nitroanilino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[4-(methylsulfamoyl)-2-nitroanilino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(methylsulfamoyl)-2-nitro-anilino]ethyl]-diethyl-ammonium Formula: C20H29N4O4S+ MolecularWeight: 421.53366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4S/c1-4-23(5-2)17(13-16-9-7-6-8-10-16)15-22-19-12-11-18(29(27,28)21-3)14-20(19)24(25)26/h6-12,14,17,21-22H,4-5,13,15H2,1-3H3/p+1/t17-/m0/s1