methyl 1-[[(4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[(4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-3-methyl-4-(p-tolylsulfonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-3-methyl-4-(tosylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC3=C2C(=C(O3)C(=O)N4CCC(CC4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CCCC3=C2C(=C(O3)C(=O)N4CCC(CC4)C(=O)OC)C

InChI

InChI=1S/C24H29N3O6S/c1-15-7-9-18(10-8-15)34(30,31)26-25-19-5-4-6-20-21(19)16(2)22(33-20)23(28)27-13-11-17(12-14-27)24(29)32-3/h7-10,17,26H,4-6,11-14H2,1-3H3/b25-19+