4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]benzenesulfonamide CAS Name: 4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonylbenzenesulfonamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H25N3O5S2/c22-30(26,27)19-5-7-20(8-6-19)31(28,29)24-13-10-17(11-14-24)21(25)23-12-9-16-3-1-2-4-18(16)15-23/h1-8,17H,9-15H2,(H2,22,26,27)