(3S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-tert-butylthiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-tert-butyl-2-thiazolyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-tert-butylthiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C19H24FN3O3S2 MolecularWeight: 425.540563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3O3S2/c1-19(2,3)16-12-27-18(21-16)22-17(24)13-5-4-10-23(11-13)28(25,26)15-8-6-14(20)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,22,24)/t13-/m0/s1