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

Systemtic Name: N-(3-ethoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-ethoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-ethoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(3-ethoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC

Isomeric SMILES

CCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC

InChI

InChI=1S/C17H26N2O4S/c1-3-23-11-7-10-18-17(20)16-12-14-8-5-6-9-15(14)13-19(16)24(21,22)4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3,(H,18,20)