[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-[3-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H26N4O7S MolecularWeight: 478.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S/c1-4-22-18-11-10-15(12-19(18)25(28)29)21(27)32-14-20(26)23-16-8-7-9-17(13-16)33(30,31)24(5-2)6-3/h7-13,22H,4-6,14H2,1-3H3,(H,23,26)