2-[(4-bromophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(4-bromophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(4-bromophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(4-bromophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(4-bromophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-bromobenzyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN2O4S/c17-15-4-1-12(2-5-15)11-24(22,23)18-8-7-13-3-6-16(19(20)21)9-14(13)10-18/h1-6,9H,7-8,10-11H2