2-[[2-[4-(2-chloroethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[4-(2-chloroethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[4-(2-chloroethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[4-(2-chloroethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[4-(2-chloroethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[4-(2-chloroethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)CCCl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)CCCl

InChI

InChI=1S/C26H23ClN2O4S/c27-15-13-18-9-11-20(12-10-18)34(32,33)29-16-14-19-5-1-2-6-21(19)24(29)17-28-25(30)22-7-3-4-8-23(22)26(28)31/h1-12,24H,13-17H2