(E)-N-[4-[7-(methylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-naphthalen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-[7-(methylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-naphthalen-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-[7-(methanesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-(2-naphthyl)prop-2-enamide CAS Name: (E)-N-[4-[7-(methanesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-(2-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[4-[7-(methanesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-naphthalen-2-ylprop-2-enamide Traditional Name: (E)-N-[4-[7-(methanesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-(2-naphthyl)acrylamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(CCN(C2)CCCCNC(=O)C=CC3=CC4=CC=CC=C4C=C3)C=C1

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(CCN(C2)CCCCNC(=O)/C=C/C3=CC4=CC=CC=C4C=C3)C=C1

InChI

InChI=1S/C27H31N3O3S/c1-34(32,33)29-26-12-11-23-14-17-30(20-25(23)19-26)16-5-4-15-28-27(31)13-9-21-8-10-22-6-2-3-7-24(22)18-21/h2-3,6-13,18-19,29H,4-5,14-17,20H2,1H3,(H,28,31)/b13-9+