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

Systemtic Name: (E)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-phenyl-acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C=CC3=CC=CC=C3)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-28-21-10-9-20-17-24(14-12-19(20)16-21)29(26,27)15-5-13-23-22(25)11-8-18-6-3-2-4-7-18/h2-4,6-11,16H,5,12-15,17H2,1H3,(H,23,25)/b11-8+