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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(2-chlorophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(2-chlorophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(2-chlorophenyl)methylsulfonyl]-7-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-chlorobenzyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H15ClN2O4S/c17-16-4-2-1-3-13(16)11-24(22,23)18-8-7-12-5-6-15(19(20)21)9-14(12)10-18/h1-6,9H,7-8,10-11H2