(3S)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(tert-butylamino)-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C18H26FN3O4S MolecularWeight: 399.480143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O4S/c1-18(2,3)21-16(23)11-20-17(24)13-5-4-10-22(12-13)27(25,26)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,23)/t13-/m0/s1