2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl 3-chloranylbenzoate

Systemtic Name: 2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl 3-chloranylbenzoate Openeye Name: 2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]ethyl ester Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC(=O)C3=CC(=CC=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC(=O)C3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O5S/c21-16-5-3-4-15(12-16)20(26)29-11-8-23-19(25)14-6-7-17(22)18(13-14)30(27,28)24-9-1-2-10-24/h3-7,12-13H,1-2,8-11H2,(H,23,25)