dimethyl-[(1S)-2-[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]amino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]amino]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[4-(isopropylsulfamoyl)-2-nitro-anilino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[2-nitro-4-(propan-2-ylsulfamoyl)anilino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[2-nitro-4-(propan-2-ylsulfamoyl)anilino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[4-(isopropylsulfamoyl)-2-nitro-anilino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C19H26N4O4S/c1-14(2)21-28(26,27)16-10-11-17(18(12-16)23(24)25)20-13-19(22(3)4)15-8-6-5-7-9-15/h5-12,14,19-21H,13H2,1-4H3/p+1/t19-/m1/s1