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

Systemtic Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]butanamide Openeye Name: N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl]butanamide IUPAC Name: N-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-methyl-2-(tosylamino)butyramide Formula: C35H32N4O4S2 MolecularWeight: 636.78298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=NN=C(C=C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=NN=C(C=C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

InChI

InChI=1S/C35H32N4O4S2/c1-22(2)33(39-45(41,42)27-16-13-23(3)14-17-27)35(40)36-34-26(19-24-9-5-4-6-10-24)20-28(37-38-34)25-15-18-30-32(21-25)44-31-12-8-7-11-29(31)43-30/h4-18,20-22,33,39H,19H2,1-3H3,(H,36,38,40)