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

Systemtic Name: methyl 4-chloranyl-3-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[4-(pyrrolidinosulfonylmethyl)benzoyl]amino]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)Cl)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

InChI

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