5-[2-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propyl]-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide

Systemtic Name: 5-[2-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propyl]-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide Openeye Name: 5-[2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide CAS Name: 5-[2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[[4-(methylthio)phenyl]methyl]-1H-indole-2-carboxamide IUPAC Name: 5-[2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide Traditional Name: 5-[2-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]propyl]-N-[4-(methylthio)benzyl]-1H-indole-2-carboxamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=CC=C(C=C3)SC)NCC(C4=CC(=C(C=C4)O)CO)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=CC=C(C=C3)SC)NCC(C4=CC(=C(C=C4)O)CO)O

InChI

InChI=1S/C29H33N3O4S/c1-18(30-16-28(35)21-6-10-27(34)23(13-21)17-33)11-20-5-9-25-22(12-20)14-26(32-25)29(36)31-15-19-3-7-24(37-2)8-4-19/h3-10,12-14,18,28,30,32-35H,11,15-17H2,1-2H3,(H,31,36)