ethyl 2-chloranyl-4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 2-chloro-4-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-chloro-4-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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