(3S)-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-[(1S)-2-methyl-1-methylol-propyl]nipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(C)[C@@H](CO)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H31N3O5S/c1-15(2)19(14-25)22-21(27)16-5-3-11-23(13-16)30(28,29)18-9-7-17(8-10-18)24-12-4-6-20(24)26/h7-10,15-16,19,25H,3-6,11-14H2,1-2H3,(H,22,27)/t16-,19+/m0/s1