3-(3-imidazol-1-ylpropoxy)-2-(2-methylsulfinylphenyl)-2-(9H-xanthen-9-yl)propanamide

Systemtic Name: 3-(3-imidazol-1-ylpropoxy)-2-(2-methylsulfinylphenyl)-2-(9H-xanthen-9-yl)propanamide Openeye Name: 3-(3-imidazol-1-ylpropoxy)-2-(2-methylsulfinylphenyl)-2-(9H-xanthen-9-yl)propanamide CAS Name: 3-[3-(1-imidazolyl)propoxy]-2-(2-methylsulfinylphenyl)-2-(9H-xanthen-9-yl)propanamide IUPAC Name: 3-(3-imidazol-1-ylpropoxy)-2-(2-methylsulfinylphenyl)-2-(9H-xanthen-9-yl)propanamide Traditional Name: 3-(3-imidazol-1-ylpropoxy)-2-(2-methylsulfinylphenyl)-2-(9H-xanthen-9-yl)propionamide Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=CC=C1C(COCCCN2C=CN=C2)(C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)N

Isomeric SMILES

CS(=O)C1=CC=CC=C1C(COCCCN2C=CN=C2)(C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)N

InChI

InChI=1S/C29H29N3O4S/c1-37(34)26-14-7-4-11-23(26)29(28(30)33,19-35-18-8-16-32-17-15-31-20-32)27-21-9-2-5-12-24(21)36-25-13-6-3-10-22(25)27/h2-7,9-15,17,20,27H,8,16,18-19H2,1H3,(H2,30,33)