N-[2,4-bis(fluoranyl)phenyl]-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,4-difluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,4-difluorophenyl)isonipecotamide Formula: C19H19ClF2N2O4S MolecularWeight: 444.879966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)F)Cl

InChI

InChI=1S/C19H19ClF2N2O4S/c1-28-18-5-3-14(11-15(18)20)29(26,27)24-8-6-12(7-9-24)19(25)23-17-4-2-13(21)10-16(17)22/h2-5,10-12H,6-9H2,1H3,(H,23,25)