methyl 4-chloranyl-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(4-methoxyphenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-29-16-4-6-17(7-5-16)31(27,28)24-11-9-14(10-12-24)20(25)23-19-13-15(21(26)30-2)3-8-18(19)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)