N-[3-[butyl(ethyl)amino]propyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-[butyl(ethyl)amino]propyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-[butyl(ethyl)amino]propyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-[butyl(ethyl)amino]propyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-[butyl(ethyl)amino]propyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-[butyl(ethyl)amino]propyl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

CCCCN(CC)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C20H33N3O3S/c1-4-6-13-22(5-2)14-9-12-21-20(24)19-15-17-10-7-8-11-18(17)16-23(19)27(3,25)26/h7-8,10-11,19H,4-6,9,12-16H2,1-3H3,(H,21,24)