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

Systemtic Name: methyl 4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2,4-dichlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2,4-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=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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