[(1S)-2-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[4-(tert-butylsulfamoyl)-2-nitro-anilino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[4-(tert-butylsulfamoyl)-2-nitroanilino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[4-(tert-butylsulfamoyl)-2-nitroanilino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[4-(tert-butylsulfamoyl)-2-nitro-anilino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-20(2,3)22-29(27,28)16-11-12-17(18(13-16)24(25)26)21-14-19(23(4)5)15-9-7-6-8-10-15/h6-13,19,21-22H,14H2,1-5H3/p+1/t19-/m1/s1