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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-isonipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H25FN2O4S/c1-15-13-19(7-8-20(15)28-2)29(26,27)24-11-9-17(10-12-24)21(25)23-14-16-3-5-18(22)6-4-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)