(3S)-N-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-mesyl-N-p-phenetyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C19H22N2O4S/c1-3-25-17-10-8-16(9-11-17)20-19(22)18-12-14-6-4-5-7-15(14)13-21(18)26(2,23)24/h4-11,18H,3,12-13H2,1-2H3,(H,20,22)/t18-/m0/s1