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

Systemtic Name: (3S)-2-ethylsulfonyl-N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S/c1-2-31(28,29)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-20-12-14-22(15-13-20)30-21-10-4-3-5-11-21/h3-15,23H,2,16-17H2,1H3,(H,25,27)/t23-/m0/s1