isoquinolin-4-yl-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]methanol

Systemtic Name: isoquinolin-4-yl-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]methanol Openeye Name: [1-(benzenesulfonyl)-5-methoxy-indol-2-yl]-(4-isoquinolyl)methanol CAS Name: [1-(benzenesulfonyl)-5-methoxy-2-indolyl]-(4-isoquinolinyl)methanol IUPAC Name: [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-isoquinolin-4-ylmethanol Traditional Name: (1-besyl-5-methoxy-indol-2-yl)-(4-isoquinolyl)methanol Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2)C(C3=CN=CC4=CC=CC=C43)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2)C(C3=CN=CC4=CC=CC=C43)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O4S/c1-31-19-11-12-23-18(13-19)14-24(27(23)32(29,30)20-8-3-2-4-9-20)25(28)22-16-26-15-17-7-5-6-10-21(17)22/h2-16,25,28H,1H3