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

Systemtic Name: methyl 1-[[(4E)-3-methyl-4-(phenylsulfonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-4-(benzenesulfonylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-4-(benzenesulfonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-4-(benzenesulfonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-4-(besylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNS(=O)(=O)C3=CC=CC=C3)CCC2)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NS(=O)(=O)C3=CC=CC=C3)/CCC2)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C23H27N3O6S/c1-15-20-18(24-25-33(29,30)17-7-4-3-5-8-17)9-6-10-19(20)32-21(15)22(27)26-13-11-16(12-14-26)23(28)31-2/h3-5,7-8,16,25H,6,9-14H2,1-2H3/b24-18+