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

Systemtic Name: (3R)-2-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-esyl-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-15-18-8-4-3-7-16(18)13-21(25)22(26)23-12-11-17-14-24-20-10-6-5-9-19(17)20/h3-10,14,21,24H,2,11-13,15H2,1H3,(H,23,26)/t21-/m1/s1