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

Systemtic Name: 2-ethylsulfonyl-N-(4-iodophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(4-iodophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(4-iodophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(4-iodophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-iodophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19IN2O3S MolecularWeight: 470.32453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19IN2O3S/c1-2-25(23,24)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-16-9-7-15(19)8-10-16/h3-10,17H,2,11-12H2,1H3,(H,20,22)