2-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[7-(methylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[7-(mesylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindoline-1,3-quinone Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC2=C(CCN(C2)CCCCN3C(=O)C4=CC=CC=C4C3=O)C=C1

Isomeric SMILES

CS(=O)(=O)CC1=CC2=C(CCN(C2)CCCCN3C(=O)C4=CC=CC=C4C3=O)C=C1

InChI

InChI=1S/C23H26N2O4S/c1-30(28,29)16-17-8-9-18-10-13-24(15-19(18)14-17)11-4-5-12-25-22(26)20-6-2-3-7-21(20)23(25)27/h2-3,6-9,14H,4-5,10-13,15-16H2,1H3