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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H22FN3O4S/c21-17-7-9-18(10-8-17)29(27,28)24-11-1-2-16(13-24)20(26)23-12-14-3-5-15(6-4-14)19(22)25/h3-10,16H,1-2,11-13H2,(H2,22,25)(H,23,26)