3-butyl-4-(3-phenylmethoxyphenyl)-2-pyrrolidin-3-ylsulfonyl-phenol

Systemtic Name: 3-butyl-4-(3-phenylmethoxyphenyl)-2-pyrrolidin-3-ylsulfonyl-phenol Openeye Name: 4-(3-benzyloxyphenyl)-3-butyl-2-pyrrolidin-3-ylsulfonyl-phenol CAS Name: 3-butyl-4-(3-phenylmethoxyphenyl)-2-(3-pyrrolidinylsulfonyl)phenol IUPAC Name: 3-butyl-4-(3-phenylmethoxyphenyl)-2-pyrrolidin-3-ylsulfonylphenol Traditional Name: 4-(3-benzoxyphenyl)-3-butyl-2-pyrrolidin-3-ylsulfonyl-phenol Formula: C27H31NO4S MolecularWeight: 465.60434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1S(=O)(=O)C2CCNC2)O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C=CC(=C1S(=O)(=O)C2CCNC2)O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO4S/c1-2-3-12-25-24(13-14-26(29)27(25)33(30,31)23-15-16-28-18-23)21-10-7-11-22(17-21)32-19-20-8-5-4-6-9-20/h4-11,13-14,17,23,28-29H,2-3,12,15-16,18-19H2,1H3