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

Systemtic Name: 2-ethylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(3-isopropoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(3-isopropoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCOC(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCOC(C)C

InChI

InChI=1S/C18H28N2O4S/c1-4-25(22,23)20-13-16-9-6-5-8-15(16)12-17(20)18(21)19-10-7-11-24-14(2)3/h5-6,8-9,14,17H,4,7,10-13H2,1-3H3,(H,19,21)