methyl 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H26FN3O5S MolecularWeight: 511.565143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O5S/c1-18-6-7-20(26(32)35-2)17-24(18)28-25(31)19-4-3-5-23(16-19)36(33,34)30-14-12-29(13-15-30)22-10-8-21(27)9-11-22/h3-11,16-17H,12-15H2,1-2H3,(H,28,31)