N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-7-(3-methylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-7-(3-methylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-7-(3-methylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7-(3-methylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-7-(3-methylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-7-(3-mesylphenyl)-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C3C(=C2)OCCO3)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C3C(=C2)OCCO3)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C27H26N2O6S/c1-36(32,33)21-6-4-5-17(12-21)18-13-23(26-25(14-18)34-9-10-35-26)27(31)29-20(16-30)11-19-15-28-24-8-3-2-7-22(19)24/h2-8,12-15,20,28,30H,9-11,16H2,1H3,(H,29,31)/t20-/m1/s1