N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfonyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfonyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfonyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[2-[3-(1-imidazolyl)propoxymethyl]-6-methylsulfonylphenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylsulfonylphenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-mesyl-phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5

InChI

InChI=1S/C29H29N3O5S/c1-38(34,35)27-13-6-8-21(19-36-17-7-15-32-16-14-30-20-32)29(27)31-28(33)18-24-22-9-2-4-11-25(22)37-26-12-5-3-10-23(24)26/h2-6,8-14,16,20,24H,7,15,17-19H2,1H3,(H,31,33)