(E)-N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-methylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-methylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-methylsulfonylphenyl)prop-2-enamide CAS Name: (E)-N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(3-mesylphenyl)acrylamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C=CC(=O)NC2CCC(CC2)CCN3CCC4=C(C3)C=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)/C=C/C(=O)NC2CCC(CC2)CCN3CCC4=C(C3)C=CC(=C4)C#N

InChI

InChI=1S/C28H33N3O3S/c1-35(33,34)27-4-2-3-22(18-27)8-12-28(32)30-26-10-6-21(7-11-26)13-15-31-16-14-24-17-23(19-29)5-9-25(24)20-31/h2-5,8-9,12,17-18,21,26H,6-7,10-11,13-16,20H2,1H3,(H,30,32)/b12-8+