methyl 4-[(E)-[(3-piperidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(3-piperidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[3-(1-piperidylsulfonyl)benzoyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3-piperidinosulfonylbenzoyl)hydrazono]methyl]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O5S/c1-29-21(26)17-10-8-16(9-11-17)15-22-23-20(25)18-6-5-7-19(14-18)30(27,28)24-12-3-2-4-13-24/h5-11,14-15H,2-4,12-13H2,1H3,(H,23,25)/b22-15+