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

Systemtic Name: 4-[(E)-[(3-piperidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[3-(1-piperidylsulfonyl)benzoyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(3-piperidinosulfonylbenzoyl)hydrazono]methyl]benzoic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21N3O5S/c24-19(22-21-14-15-7-9-16(10-8-15)20(25)26)17-5-4-6-18(13-17)29(27,28)23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12H2,(H,22,24)(H,25,26)/b21-14+