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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

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