2-(3-methylphenoxy)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 2-(3-methylphenoxy)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid 2-(3-methylphenoxy)ethyl ester Formula: C26H27FN2O5S MolecularWeight: 498.566383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O5S/c1-20-4-2-6-24(18-20)33-16-17-34-26(30)21-5-3-7-25(19-21)35(31,32)29-14-12-28(13-15-29)23-10-8-22(27)9-11-23/h2-11,18-19H,12-17H2,1H3