[3-[2-(5-azanylpentylamino)-2-oxidanylidene-ethoxy]-5-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] phenylmethanesulfonate

Systemtic Name: [3-[2-(5-azanylpentylamino)-2-oxidanylidene-ethoxy]-5-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] phenylmethanesulfonate Openeye Name: [3-[2-(5-aminopentylamino)-2-oxo-ethoxy]-5-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [3-[2-(5-aminopentylamino)-2-oxoethoxy]-5-[[1-(4-fluorophenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [3-[2-(5-aminopentylamino)-2-oxoethoxy]-5-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [3-[2-(5-aminopentylamino)-2-keto-ethoxy]-5-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl] ester Formula: C29H34FN3O6S MolecularWeight: 571.660163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)OS(=O)(=O)CC3=CC=CC=C3)OCC(=O)NCCCCCN

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)OS(=O)(=O)CC3=CC=CC=C3)OCC(=O)NCCCCCN

InChI

InChI=1S/C29H34FN3O6S/c1-21(23-10-12-25(30)13-11-23)33-29(35)24-16-26(38-19-28(34)32-15-7-3-6-14-31)18-27(17-24)39-40(36,37)20-22-8-4-2-5-9-22/h2,4-5,8-13,16-18,21H,3,6-7,14-15,19-20,31H2,1H3,(H,32,34)(H,33,35)