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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(4-fluorobenzyl)nipecotamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN2O3S/c1-14-4-9-18(11-19(14)21)28(26,27)24-10-2-3-16(13-24)20(25)23-12-15-5-7-17(22)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)