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

Systemtic Name: 2-(4-hydroxyphenyl)-3-methyl-1-[4-(4-pentylsulfonylbutoxy)phenyl]indol-5-ol Openeye Name: 2-(4-hydroxyphenyl)-3-methyl-1-[4-(4-pentylsulfonylbutoxy)phenyl]indol-5-ol CAS Name: 2-(4-hydroxyphenyl)-3-methyl-1-[4-(4-pentylsulfonylbutoxy)phenyl]-5-indolol IUPAC Name: 2-(4-hydroxyphenyl)-3-methyl-1-[4-(4-pentylsulfonylbutoxy)phenyl]indol-5-ol Traditional Name: 1-[4-(4-amylsulfonylbutoxy)phenyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol Formula: C30H35NO5S MolecularWeight: 521.6676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)CCCCOC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C(=C2C4=CC=C(C=C4)O)C

Isomeric SMILES

CCCCCS(=O)(=O)CCCCOC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C(=C2C4=CC=C(C=C4)O)C

InChI

InChI=1S/C30H35NO5S/c1-3-4-6-19-37(34,35)20-7-5-18-36-27-15-10-24(11-16-27)31-29-17-14-26(33)21-28(29)22(2)30(31)23-8-12-25(32)13-9-23/h8-17,21,32-33H,3-7,18-20H2,1-2H3