[2-methoxy-4-[(E)-[2-(phenylsulfonylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [2-methoxy-4-[(E)-[2-(phenylsulfonylamino)ethanoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[2-(benzenesulfonamido)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CNS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CNS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C27H29N3O7S/c1-3-4-16-36-22-13-11-21(12-14-22)27(32)37-24-15-10-20(17-25(24)35-2)18-28-30-26(31)19-29-38(33,34)23-8-6-5-7-9-23/h5-15,17-18,29H,3-4,16,19H2,1-2H3,(H,30,31)/b28-18+