N-[3-(diethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-(diethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(diethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-(diethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-(diethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(diethylamino)propyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FN3O3S/c1-3-26(4-2)15-7-14-25-23(28)22-16-18-8-5-6-9-19(18)17-27(22)31(29,30)21-12-10-20(24)11-13-21/h5-6,8-13,22H,3-4,7,14-17H2,1-2H3,(H,25,28)