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

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

Systemtic Name:2-[4-[7-(phenylsulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione
Openeye Name:2-[4-[7-(benzenesulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindoline-1,3-dione
CAS Name:2-[4-[7-(benzenesulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione
IUPAC Name:2-[4-[7-(benzenesulfonylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindole-1,3-dione
Traditional Name:2-[4-[7-(besylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]isoindoline-1,3-quinone
Formula: C28H28N2O4S
MolecularWeight: 488.59792
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CS(=O)(=O)C3=CC=CC=C3)CCCCN4C(=O)C5=CC=CC=C5C4=O


Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CS(=O)(=O)C3=CC=CC=C3)CCCCN4C(=O)C5=CC=CC=C5C4=O


InChI

InChI=1S/C28H28N2O4S/c31-27-25-10-4-5-11-26(25)28(32)30(27)16-7-6-15-29-17-14-22-13-12-21(18-23(22)19-29)20-35(33,34)24-8-2-1-3-9-24/h1-5,8-13,18H,6-7,14-17,19-20H2


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