N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetamide Formula: C26H29N3O6S MolecularWeight: 511.58996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H29N3O6S/c1-18-10-12-29(13-11-18)36(32,33)24-15-28(26(31)21-7-3-2-6-20(21)24)16-25(30)27-14-19-17-34-22-8-4-5-9-23(22)35-19/h2-9,15,18-19H,10-14,16-17H2,1H3,(H,27,30)