N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,5-dimethoxy-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,5-dimethoxy-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,5-dimethoxybenzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,5-dimethoxybenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,5-dimethoxy-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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