2-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]ethyl]ammonium CAS Name: 2-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]ethyl]ammonium Formula: C17H30N5O5S+ MolecularWeight: 416.5156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H29N5O5S/c1-12(2)21(13(3)4)10-9-20-17(23)7-8-19-15-6-5-14(28(18,26)27)11-16(15)22(24)25/h5-6,11-13,19H,7-10H2,1-4H3,(H,20,23)(H2,18,26,27)/p+1