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

Systemtic Name: (E)-N-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-naphthalen-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-(2-naphthyl)prop-2-enamide CAS Name: (E)-N-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-(2-naphthalenyl)-2-propenamide IUPAC Name: (E)-N-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-naphthalen-2-ylprop-2-enamide Traditional Name: (E)-N-[4-[7-(mesylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-3-(2-naphthyl)acrylamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC2=C(CCN(C2)CCCCNC(=O)C=CC3=CC4=CC=CC=C4C=C3)C=C1

Isomeric SMILES

CS(=O)(=O)CC1=CC2=C(CCN(C2)CCCCNC(=O)/C=C/C3=CC4=CC=CC=C4C=C3)C=C1

InChI

InChI=1S/C28H32N2O3S/c1-34(32,33)21-23-9-12-25-14-17-30(20-27(25)19-23)16-5-4-15-29-28(31)13-10-22-8-11-24-6-2-3-7-26(24)18-22/h2-3,6-13,18-19H,4-5,14-17,20-21H2,1H3,(H,29,31)/b13-10+