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

Systemtic Name: methyl 4-[(Z)-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazono]methyl]benzoate CAS Name: 4-[(Z)-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate Traditional Name: 4-[(Z)-[(4-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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