methyl 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H22FN3O5S/c1-29-20(26)15-5-7-17(8-6-15)22-14-19(25)23-9-11-24(12-10-23)30(27,28)18-4-2-3-16(21)13-18/h2-8,13,22H,9-12,14H2,1H3