(3S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H21BrN2O5S/c1-2-29(25,26)23-12-14-6-4-3-5-13(14)9-17(23)20(24)22-16-11-19-18(10-15(16)21)27-7-8-28-19/h3-6,10-11,17H,2,7-9,12H2,1H3,(H,22,24)/t17-/m0/s1