2-[(4-methylphenyl)sulfonylamino]-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]-3-phenyl-propanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]-3-phenyl-propanamide Openeye Name: N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-phenyl-2-(p-tolylsulfonylamino)propanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-N-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl]-3-phenylpropanamide IUPAC Name: N-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-phenyl-2-(tosylamino)propionamide Formula: C39H32N4O4S2 MolecularWeight: 684.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(C=C3CC4=CC=CC=C4)C5=CC6=C(C=C5)OC7=CC=CC=C7S6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(C=C3CC4=CC=CC=C4)C5=CC6=C(C=C5)OC7=CC=CC=C7S6

InChI

InChI=1S/C39H32N4O4S2/c1-26-16-19-31(20-17-26)49(45,46)43-33(23-28-12-6-3-7-13-28)39(44)40-38-30(22-27-10-4-2-5-11-27)24-32(41-42-38)29-18-21-35-37(25-29)48-36-15-9-8-14-34(36)47-35/h2-21,24-25,33,43H,22-23H2,1H3,(H,40,42,44)