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

Systemtic Name: N-(3-butoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-butoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-butoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-butoxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-butoxypropyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC

Isomeric SMILES

CCCCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC

InChI

InChI=1S/C19H30N2O4S/c1-3-5-12-25-13-8-11-20-19(22)18-14-16-9-6-7-10-17(16)15-21(18)26(23,24)4-2/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3,(H,20,22)