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

Systemtic Name: (3S)-N-[(2S)-3-methoxy-2-oxidanyl-propyl]-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2S)-2-hydroxy-3-methoxy-propyl]-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-2-hydroxy-3-methoxypropyl]-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-2-hydroxy-3-methoxypropyl]-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2S)-2-hydroxy-3-methoxy-propyl]-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-nipecotamide Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6S/c1-29-14-17(24)12-21-20(26)15-4-2-10-22(13-15)30(27,28)18-8-6-16(7-9-18)23-11-3-5-19(23)25/h6-9,15,17,24H,2-5,10-14H2,1H3,(H,21,26)/t15-,17-/m0/s1