methyl 4-fluoranyl-3-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[3-(4-methylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-fluoro-3-[[[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-fluoro-3-[[3-(4-methylpiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C20H22FN3O5S/c1-23-8-10-24(11-9-23)30(27,28)16-5-3-4-14(12-16)19(25)22-18-13-15(20(26)29-2)6-7-17(18)21/h3-7,12-13H,8-11H2,1-2H3,(H,22,25)