(3R)-N-(4-ethylsulfonylphenyl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-ethylsulfonylphenyl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-ethylsulfonylphenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-ethylsulfonylphenyl)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-ethylsulfonylphenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-esylphenyl)-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C23H22N2O5S/c1-2-31(28,29)19-11-9-18(10-12-19)24-22(26)20-14-16-6-3-4-7-17(16)15-25(20)23(27)21-8-5-13-30-21/h3-13,20H,2,14-15H2,1H3,(H,24,26)/t20-/m1/s1