ethyl 3-chloranyl-4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 3-chloro-4-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-chloro-4-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c1-2-30-21(27)14-6-9-19(18(23)12-14)24-20(26)16-13-15(7-8-17(16)22)31(28,29)25-10-4-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,24,26)