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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C25H30FN3O5S MolecularWeight: 503.586203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O5S/c26-21-8-10-22(11-9-21)27-14-16-29(17-15-27)35(32,33)23-7-5-6-20(18-23)25(31)34-19-24(30)28-12-3-1-2-4-13-28/h5-11,18H,1-4,12-17,19H2