methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonyl-methyl-amino]butanoate Openeye Name: methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]-methyl-amino]butanoate CAS Name: 4-[[[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]-methylamino]butanoate Traditional Name: 4-[[3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoyl]-methyl-amino]butyric acid methyl ester Formula: C23H28FN3O5S MolecularWeight: 477.548923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O5S/c1-25(12-4-7-22(28)32-2)23(29)18-5-3-6-21(17-18)33(30,31)27-15-13-26(14-16-27)20-10-8-19(24)9-11-20/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3