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

Systemtic Name: methyl 2-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(2,4-dichlorophenyl)methylsulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[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=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

InChI

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