methyl 4-[[(3R)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-29-19-10-9-17(12-18(19)22)31(27,28)24-11-3-4-15(13-24)20(25)23-16-7-5-14(6-8-16)21(26)30-2/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,23,25)/t15-/m1/s1