N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-mesyl-isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CO4)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CO4)C=C2

InChI

InChI=1S/C21H25N3O5S/c1-30(27,28)24-10-7-16(8-11-24)20(25)22-18-5-4-15-6-9-23(14-17(15)13-18)21(26)19-3-2-12-29-19/h2-5,12-13,16H,6-11,14H2,1H3,(H,22,25)