ethyl 2-chloranyl-4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-4-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 2-chloro-4-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]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)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c1-2-30-21(27)18-8-5-16(13-19(18)23)24-20(26)14-9-11-25(12-10-14)31(28,29)17-6-3-15(22)4-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)