3-methyl-2-(4-phenylsulfanylphenyl)-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol

Systemtic Name: 3-methyl-2-(4-phenylsulfanylphenyl)-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol Openeye Name: 3-methyl-2-(4-phenylsulfanylphenyl)-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol CAS Name: 3-methyl-2-[4-(phenylthio)phenyl]-1-[6-(1-pyrrolidinyl)hexyl]-5-indolol IUPAC Name: 3-methyl-2-(4-phenylsulfanylphenyl)-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol Traditional Name: 3-methyl-2-[4-(phenylthio)phenyl]-1-(6-pyrrolidinohexyl)indol-5-ol Formula: C31H36N2OS MolecularWeight: 484.69534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCN3CCCC3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCN3CCCC3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C31H36N2OS/c1-24-29-23-26(34)15-18-30(29)33(22-8-3-2-7-19-32-20-9-10-21-32)31(24)25-13-16-28(17-14-25)35-27-11-5-4-6-12-27/h4-6,11-18,23,34H,2-3,7-10,19-22H2,1H3