(2-methylquinolin-8-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (2-methylquinolin-8-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (2-methyl-8-quinolyl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid (2-methyl-8-quinolyl) ester Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C=C1

InChI

InChI=1S/C27H24FN3O4S/c1-19-8-9-20-4-3-7-25(26(20)29-19)35-27(32)21-5-2-6-24(18-21)36(33,34)31-16-14-30(15-17-31)23-12-10-22(28)11-13-23/h2-13,18H,14-17H2,1H3