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

Systemtic Name: methyl 2-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(3,4-dichlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(3,4-dichlorobenzyl)sulfonylisonipecotoyl]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=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

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