1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O3S/c29-26(27-15-14-21-10-4-5-11-22(21)16-27)18-28-17-25(23-12-6-7-13-24(23)28)32(30,31)19-20-8-2-1-3-9-20/h1-13,17H,14-16,18-19H2