1-(2-chloroethyl)-3-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]urea

Systemtic Name: 1-(2-chloroethyl)-3-[[2-(diethylsulfamoyl)-4-nitro-phenyl]amino]urea Openeye Name: 1-(2-chloroethyl)-3-[2-(diethylsulfamoyl)-4-nitro-anilino]urea CAS Name: 1-(2-chloroethyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]urea IUPAC Name: 1-(2-chloroethyl)-3-[2-(diethylsulfamoyl)-4-nitroanilino]urea Traditional Name: 1-(2-chloroethyl)-3-[2-(diethylsulfamoyl)-4-nitro-anilino]urea Formula: C13H20ClN5O5S MolecularWeight: 393.8464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)NCCCl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)NCCCl

InChI

InChI=1S/C13H20ClN5O5S/c1-3-18(4-2)25(23,24)12-9-10(19(21)22)5-6-11(12)16-17-13(20)15-8-7-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H2,15,17,20)