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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4,5-triethoxy-benzamide Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C25H34N2O6S/c1-4-31-22-16-21(17-23(32-5-2)24(22)33-6-3)25(28)26-13-9-15-34(29,30)27-14-12-19-10-7-8-11-20(19)18-27/h7-8,10-11,16-17H,4-6,9,12-15,18H2,1-3H3,(H,26,28)