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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O5S/c1-2-29-20(26)15-7-6-14(12-17(15)22)23-19(25)13-5-8-16(21)18(11-13)30(27,28)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,25)