N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-oxo-4-phenyl-butanamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-oxo-4-phenylbutanamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-oxo-4-phenylbutanamide Traditional Name: 4-keto-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-phenyl-butyramide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)CCC(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)CCC(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C23H28N2O5S/c1-30-21-9-8-20-17-25(14-12-19(20)16-21)31(28,29)15-5-13-24-23(27)11-10-22(26)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,24,27)