N-[3-[(3-fluorophenyl)carbonylamino]-4-methoxy-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[(3-fluorophenyl)carbonylamino]-4-methoxy-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[(3-fluorobenzoyl)amino]-4-methoxy-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[[(3-fluorophenyl)-oxomethyl]amino]-4-methoxyphenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[(3-fluorobenzoyl)amino]-4-methoxy-phenyl]-1-mesyl-isonipecotamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-30-19-7-6-17(13-18(19)24-21(27)15-4-3-5-16(22)12-15)23-20(26)14-8-10-25(11-9-14)31(2,28)29/h3-7,12-14H,8-11H2,1-2H3,(H,23,26)(H,24,27)