methyl 4-[[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21ClN2O5S/c1-28-20(25)15-6-4-14(5-7-15)13-22-19(24)16-8-9-17(21)18(12-16)29(26,27)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)