methyl 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 2-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 2-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-27-19(24)14-6-2-3-7-17(14)21-18(23)15-12-13(8-9-16(15)20)28(25,26)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,23)