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

Systemtic Name: methyl 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 3-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c1-27-19(24)14-5-4-6-15(11-14)21-18(23)13-7-8-16(20)17(12-13)28(25,26)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,23)