N-[(4-fluorophenyl)methyl]-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-isonipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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