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

Systemtic Name: methyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(3,4-dichlorophenyl)methylsulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,4-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=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O5S/c1-30-21(27)15-5-7-17(8-6-15)24-20(26)16-3-2-10-25(12-16)31(28,29)13-14-4-9-18(22)19(23)11-14/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,26)