(4-acetamidophenyl) 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-acetamidophenyl) 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-acetamidophenyl) 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (4-acetamidophenyl) ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

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