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

Systemtic Name: (3S)-N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-acetamidobenzyl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O4S/c1-15(26)24-19-8-4-16(5-9-19)13-23-21(27)17-3-2-12-25(14-17)30(28,29)20-10-6-18(22)7-11-20/h4-11,17H,2-3,12-14H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1