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

Systemtic Name: ethyl 2-chloranyl-4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 2-chloro-4-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-chloro-4-[(4-chloro-3-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=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

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

InChI

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