(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(1S,2R)-2-methyl-1-(phenylcarbamoyl)butyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(2S,3R)-1-anilino-3-methyl-1-oxopentan-2-yl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S,3R)-1-anilino-3-methyl-1-oxopentan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(1S,2R)-2-methyl-1-(phenylcarbamoyl)butyl]nipecotamide Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FN3O4S/c1-3-17(2)22(24(30)26-20-9-5-4-6-10-20)27-23(29)18-8-7-15-28(16-18)33(31,32)21-13-11-19(25)12-14-21/h4-6,9-14,17-18,22H,3,7-8,15-16H2,1-2H3,(H,26,30)(H,27,29)/t17-,18+,22+/m1/s1