propylsulfonyl 6-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: propylsulfonyl 6-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: propylsulfonyl 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid propylsulfonyl ester IUPAC Name: propylsulfonyl 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(cyclopropylmethoxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid propylsulfonyl ester Formula: C21H26BrN3O5S MolecularWeight: 512.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC3CC3

Isomeric SMILES

CCCS(=O)(=O)OC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC3CC3

InChI

InChI=1S/C21H26BrN3O5S/c1-3-11-31(27,28)30-21(26)18-8-10-20(24-23-18)25(4-2)13-16-12-17(22)7-9-19(16)29-14-15-5-6-15/h7-10,12,15H,3-6,11,13-14H2,1-2H3