[(1R)-1-(4-fluorophenyl)ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(1R)-1-(4-fluorophenyl)ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-1-(4-fluorophenyl)ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [(1R)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-fluorophenyl)ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [(1R)-1-(4-fluorophenyl)ethyl] ester Formula: C25H25FN2O4S MolecularWeight: 468.540403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H25FN2O4S/c1-19(20-10-12-22(26)13-11-20)32-25(29)21-6-5-9-24(18-21)33(30,31)28-16-14-27(15-17-28)23-7-3-2-4-8-23/h2-13,18-19H,14-17H2,1H3/t19-/m1/s1