ethyl N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate

Systemtic Name: ethyl N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Openeye Name: ethyl N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate CAS Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamate Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamic acid ethyl ester Formula: C18H19FN2O4S MolecularWeight: 378.417863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

Isomeric SMILES

CCOC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

InChI

InChI=1S/C18H19FN2O4S/c1-2-25-18(22)20-16-6-3-13-9-10-21(12-14(13)11-16)26(23,24)17-7-4-15(19)5-8-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)