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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)Cl

InChI

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