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

Systemtic Name: (3S)-N-(4-hydroxyphenyl)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-hydroxyphenyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-hydroxyphenyl)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-hydroxyphenyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-hydroxyphenyl)-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-nipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NC4=CC=C(C=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NC4=CC=C(C=C4)O

InChI

InChI=1S/C22H25N3O5S/c26-19-9-5-17(6-10-19)23-22(28)16-3-1-13-24(15-16)31(29,30)20-11-7-18(8-12-20)25-14-2-4-21(25)27/h5-12,16,26H,1-4,13-15H2,(H,23,28)/t16-/m0/s1