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

Systemtic Name: methyl 4-[(E)-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3-pyrrolidinosulfonylbenzoyl)hydrazono]methyl]benzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21N3O5S/c1-28-20(25)16-9-7-15(8-10-16)14-21-22-19(24)17-5-4-6-18(13-17)29(26,27)23-11-2-3-12-23/h4-10,13-14H,2-3,11-12H2,1H3,(H,22,24)/b21-14+