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

Systemtic Name: methyl 3-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O5S/c1-29-21(26)17-3-2-4-18(13-17)23-20(25)16-9-11-24(12-10-16)30(27,28)19-7-5-15(14-22)6-8-19/h2-8,13,16H,9-12H2,1H3,(H,23,25)