3-butyl-4-[2-(methoxymethoxy)phenyl]-2-pyrrolidin-3-ylsulfonyl-phenol

Systemtic Name: 3-butyl-4-[2-(methoxymethoxy)phenyl]-2-pyrrolidin-3-ylsulfonyl-phenol Openeye Name: 3-butyl-4-[2-(methoxymethoxy)phenyl]-2-pyrrolidin-3-ylsulfonyl-phenol CAS Name: 3-butyl-4-[2-(methoxymethoxy)phenyl]-2-(3-pyrrolidinylsulfonyl)phenol IUPAC Name: 3-butyl-4-[2-(methoxymethoxy)phenyl]-2-pyrrolidin-3-ylsulfonylphenol Traditional Name: 3-butyl-4-[2-(methoxymethoxy)phenyl]-2-pyrrolidin-3-ylsulfonyl-phenol Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1S(=O)(=O)C2CCNC2)O)C3=CC=CC=C3OCOC

Isomeric SMILES

CCCCC1=C(C=CC(=C1S(=O)(=O)C2CCNC2)O)C3=CC=CC=C3OCOC

InChI

InChI=1S/C22H29NO5S/c1-3-4-7-19-17(18-8-5-6-9-21(18)28-15-27-2)10-11-20(24)22(19)29(25,26)16-12-13-23-14-16/h5-6,8-11,16,23-24H,3-4,7,12-15H2,1-2H3