N-[2-(1H-indol-3-yl)ethyl]-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-besyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H25N3O3S/c30-26(27-15-14-20-17-28-24-13-7-6-12-23(20)24)25-16-19-8-4-5-9-21(19)18-29(25)33(31,32)22-10-2-1-3-11-22/h1-13,17,25,28H,14-16,18H2,(H,27,30)