N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Openeye Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide IUPAC Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Traditional Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-27-19-13-17-9-11-23(15-18(17)14-20(19)28-2)29(25,26)12-6-10-22-21(24)16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,22,24)