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

Systemtic Name: 5-(3,5-dimethylphenyl)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide Openeye Name: 5-(3,5-dimethylphenyl)-N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2,3-dihydrobenzofuran-7-sulfonamide CAS Name: 5-(3,5-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydrobenzofuran-7-sulfonamide IUPAC Name: 5-(3,5-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide Traditional Name: 5-(3,5-dimethylphenyl)-N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]coumaran-7-sulfonamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC3=C(C(=C2)S(=O)(=O)NC(CC4=CNC5=CC=CC=C54)CO)OCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC3=C(C(=C2)S(=O)(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO)OCC3)C

InChI

InChI=1S/C27H28N2O4S/c1-17-9-18(2)11-20(10-17)21-12-19-7-8-33-27(19)26(14-21)34(31,32)29-23(16-30)13-22-15-28-25-6-4-3-5-24(22)25/h3-6,9-12,14-15,23,28-30H,7-8,13,16H2,1-2H3/t23-/m1/s1