[1-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate

Systemtic Name: [1-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate Openeye Name: 1-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]propyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1-[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 1-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H20ClN5O5S/c1-2-17(32-21(29)13-3-5-14(23)6-4-13)20(28)24-15-7-9-16(10-8-15)33(30,31)27-19-12-11-18(22)25-26-19/h3-12,17H,2,23H2,1H3,(H,24,28)(H,26,27)