3-(4-methoxyphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[4-(6-methylsulfonyl-3-pyridazinyl)phenyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide Traditional Name: N-[4-(6-mesylpyridazin-3-yl)phenyl]-3-(4-methoxyphenyl)propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-28-18-10-3-15(4-11-18)5-13-20(25)22-17-8-6-16(7-9-17)19-12-14-21(24-23-19)29(2,26)27/h3-4,6-12,14H,5,13H2,1-2H3,(H,22,25)