[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H26FN3O5S MolecularWeight: 475.533043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O5S/c1-16(22(28)25-19-7-8-19)32-23(29)17-3-2-4-21(15-17)33(30,31)27-13-11-26(12-14-27)20-9-5-18(24)6-10-20/h2-6,9-10,15-16,19H,7-8,11-14H2,1H3,(H,25,28)