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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O4S/c21-17-5-7-18(8-6-17)29(27,28)24-11-9-16(10-12-24)20(26)23-13-14-1-3-15(4-2-14)19(22)25/h1-8,16H,9-13H2,(H2,22,25)(H,23,26)