methyl 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]pyridazine-3-carboxylate

Systemtic Name: methyl 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]pyridazine-3-carboxylate Openeye Name: methyl 6-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]pyridazine-3-carboxylate CAS Name: 6-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]pyridazine-3-carboxylate Traditional Name: 6-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid methyl ester Formula: C16H21N5O5S MolecularWeight: 395.43344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=NN=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=NN=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H21N5O5S/c1-11-15(12(2)26-19-11)27(23,24)21-8-4-7-20(9-10-21)14-6-5-13(17-18-14)16(22)25-3/h5-6H,4,7-10H2,1-3H3