5-(3-cyanophenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

Systemtic Name: 5-(3-cyanophenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide Openeye Name: 5-(3-cyanophenyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2,3-dihydrobenzofuran-7-sulfonamide CAS Name: 5-(3-cyanophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydrobenzofuran-7-sulfonamide IUPAC Name: 5-(3-cyanophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide Traditional Name: 5-(3-cyanophenyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]coumaran-7-sulfonamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)CO)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1COC2=C1C=C(C=C2S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)CO)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H23N3O4S/c27-14-17-4-3-5-18(10-17)20-11-19-8-9-33-26(19)25(13-20)34(31,32)29-22(16-30)12-21-15-28-24-7-2-1-6-23(21)24/h1-7,10-11,13,15,22,28-30H,8-9,12,16H2/t22-/m1/s1