N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-5-(6-methoxypyridin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide

Systemtic Name: N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-5-(6-methoxypyridin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-5-(6-methoxy-3-pyridyl)-2,3-dihydrobenzofuran-7-sulfonamide CAS Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(6-methoxy-3-pyridinyl)-2,3-dihydrobenzofuran-7-sulfonamide IUPAC Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(6-methoxypyridin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide Traditional Name: N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-5-(6-methoxy-3-pyridyl)coumaran-7-sulfonamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=CC3=C(C(=C2)S(=O)(=O)NC(CC4=CNC5=CC=CC=C54)CO)OCC3

Isomeric SMILES

COC1=NC=C(C=C1)C2=CC3=C(C(=C2)S(=O)(=O)N[C@@H](CC4=CNC5=CC=CC=C54)CO)OCC3

InChI

InChI=1S/C25H25N3O5S/c1-32-24-7-6-17(13-27-24)18-10-16-8-9-33-25(16)23(12-18)34(30,31)28-20(15-29)11-19-14-26-22-5-3-2-4-21(19)22/h2-7,10,12-14,20,26,28-29H,8-9,11,15H2,1H3/t20-/m0/s1