[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-3-14-25-20(26)13-12-19(23-25)21(27)30-17-8-6-16(7-9-17)24(2)31(28,29)18-10-4-15(22)5-11-18/h4-13H,3,14H2,1-2H3