N-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxy-5-propan-2-yl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxy-5-propan-2-yl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-difluorophenyl)-1-(5-isopropyl-2-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-difluorophenyl)-1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-difluorophenyl)-1-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-difluorophenyl)-1-(5-isopropyl-2-methoxy-phenyl)sulfonyl-isonipecotamide Formula: C22H26F2N2O4S MolecularWeight: 452.514646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H26F2N2O4S/c1-14(2)16-4-7-20(30-3)21(12-16)31(28,29)26-10-8-15(9-11-26)22(27)25-17-5-6-18(23)19(24)13-17/h4-7,12-15H,8-11H2,1-3H3,(H,25,27)