methyl 2-chloranyl-5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 2-chloro-5-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-chloro-5-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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