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

Systemtic Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H27N3O3S/c1-19-10-12-23(13-11-19)34(32,33)30-18-22-7-3-2-6-20(22)16-26(30)27(31)28-15-14-21-17-29-25-9-5-4-8-24(21)25/h2-13,17,26,29H,14-16,18H2,1H3,(H,28,31)/t26-/m0/s1