3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-methyl-5-(1-piperidylsulfonyl)benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-methyl-5-(1-piperidinylsulfonyl)-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-5-piperidinosulfonyl-benzofuran-2-yl)methanone Formula: C24H26N2O4S MolecularWeight: 438.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H26N2O4S/c1-17-21-15-20(31(28,29)26-12-5-2-6-13-26)9-10-22(21)30-23(17)24(27)25-14-11-18-7-3-4-8-19(18)16-25/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3