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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-diethoxy-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-diethoxy-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-diethoxybenzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-diethoxybenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-diethoxy-benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OCC

InChI

InChI=1S/C23H30N2O5S/c1-3-29-21-11-10-19(16-22(21)30-4-2)23(26)24-13-7-15-31(27,28)25-14-12-18-8-5-6-9-20(18)17-25/h5-6,8-11,16H,3-4,7,12-15,17H2,1-2H3,(H,24,26)