[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone CAS Name: [4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-(2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H29N3O6S/c1-2-35(31,32)28-16-19-8-4-3-7-18(19)15-20(28)24(29)26-11-13-27(14-12-26)25(30)23-17-33-21-9-5-6-10-22(21)34-23/h3-10,20,23H,2,11-17H2,1H3