N-(3-chloranyl-4-methyl-phenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-nipecotamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC)Cl

InChI

InChI=1S/C20H22ClFN2O4S/c1-13-5-7-16(11-17(13)21)23-20(25)14-4-3-9-24(12-14)29(26,27)19-10-15(22)6-8-18(19)28-2/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,25)