3-[4-(2-ethylhexanoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[4-(2-ethyl-1-oxohexyl)-1-piperazinyl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(2-ethylhexanoyl)piperazino]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide Formula: C27H38FN3O4S MolecularWeight: 519.671723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)F)OC

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)NCCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C27H38FN3O4S/c1-4-6-7-22(5-2)27(32)31-18-16-30(17-19-31)25-20-24(12-13-26(25)35-3)36(33,34)29-15-14-21-8-10-23(28)11-9-21/h8-13,20,22,29H,4-7,14-19H2,1-3H3