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

Systemtic Name: methyl 4-chloranyl-3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]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)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

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

InChI

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