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

Systemtic Name: dimethyl-[(1R)-2-[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-[4-(isopropylsulfamoyl)-2-nitro-anilino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-[2-nitro-4-(propan-2-ylsulfamoyl)anilino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[2-nitro-4-(propan-2-ylsulfamoyl)anilino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[4-(isopropylsulfamoyl)-2-nitro-anilino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C17H25N4O4S2+ MolecularWeight: 413.5348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CS2)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4S2/c1-12(2)19-27(24,25)13-7-8-14(15(10-13)21(22)23)18-11-16(20(3)4)17-6-5-9-26-17/h5-10,12,16,18-19H,11H2,1-4H3/p+1/t16-/m1/s1