ethyl 7-nitro-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: ethyl 7-nitro-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: ethyl 2-(benzenesulfonyl)-7-nitro-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 2-(benzenesulfonyl)-7-nitro-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyl)-7-nitro-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 2-besyl-7-nitro-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ethyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CCN1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C2=C(CCN1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-2-26-18(21)17-16-12-14(20(22)23)9-8-13(16)10-11-19(17)27(24,25)15-6-4-3-5-7-15/h3-9,12,17H,2,10-11H2,1H3