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

Systemtic Name: (3S)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(tert-butylamino)-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-N-methyl-nipecotamide Formula: C19H28FN3O4S MolecularWeight: 413.506723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28FN3O4S/c1-19(2,3)21-17(24)13-22(4)18(25)14-6-5-11-23(12-14)28(26,27)16-9-7-15(20)8-10-16/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,24)/t14-/m0/s1