methyl 4-[[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)17-4-2-15(3-5-17)14-23-20(25)16-10-12-24(13-11-16)30(27,28)19-8-6-18(22)7-9-19/h2-9,16H,10-14H2,1H3,(H,23,25)