2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-(octylsulfonylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-(octylsulfonylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)-5-(octylsulfonylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholinyl)propyl]-5-(octylsulfonylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-(octylsulfonylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)-5-(octylsulfonylamino)benzamide Formula: C31H46N4O4S MolecularWeight: 570.78634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C31H46N4O4S/c1-2-3-4-5-6-9-23-40(37,38)33-28-13-14-30(35-18-15-26-11-7-8-12-27(26)25-35)29(24-28)31(36)32-16-10-17-34-19-21-39-22-20-34/h7-8,11-14,24,33H,2-6,9-10,15-23,25H2,1H3,(H,32,36)