methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(2,4-dichlorophenyl)methylsulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2,4-dichlorobenzyl)sulfonylnipecotoyl]amino]benzoic acid methyl ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c1-30-21(27)14-4-2-6-18(10-14)24-20(26)15-5-3-9-25(12-15)31(28,29)13-16-7-8-17(22)11-19(16)23/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3,(H,24,26)