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

Systemtic Name: N-(4-chloranyl-3-methoxy-phenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-chloro-3-methoxy-phenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(4-chloro-3-methoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-3-methoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-chloro-3-methoxy-phenyl)-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN2O4S/c1-28-19-12-17(6-7-18(19)21)23-20(25)15-8-10-24(11-9-15)29(26,27)13-14-2-4-16(22)5-3-14/h2-7,12,15H,8-11,13H2,1H3,(H,23,25)