2-(4-hydroxyphenyl)-3-methyl-1-[[4-(4-pentylsulfonylbutoxy)phenyl]methyl]indol-5-ol

Systemtic Name: 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(4-pentylsulfonylbutoxy)phenyl]methyl]indol-5-ol Openeye Name: 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(4-pentylsulfonylbutoxy)phenyl]methyl]indol-5-ol CAS Name: 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(4-pentylsulfonylbutoxy)phenyl]methyl]-5-indolol IUPAC Name: 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(4-pentylsulfonylbutoxy)phenyl]methyl]indol-5-ol Traditional Name: 1-[4-(4-amylsulfonylbutoxy)benzyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol Formula: C31H37NO5S MolecularWeight: 535.69418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)CCCCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2C4=CC=C(C=C4)O)C

Isomeric SMILES

CCCCCS(=O)(=O)CCCCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2C4=CC=C(C=C4)O)C

InChI

InChI=1S/C31H37NO5S/c1-3-4-6-19-38(35,36)20-7-5-18-37-28-15-8-24(9-16-28)22-32-30-17-14-27(34)21-29(30)23(2)31(32)25-10-12-26(33)13-11-25/h8-17,21,33-34H,3-7,18-20,22H2,1-2H3