2-ethylsulfonyl-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H20N2O3S/c1-3-15-8-7-11-18(12-15)21-20(23)19-13-16-9-5-6-10-17(16)14-22(19)26(24,25)4-2/h1,5-12,19H,4,13-14H2,2H3,(H,21,23)