2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazino]sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)C(=O)O

InChI

InChI=1S/C28H33N5O4S/c34-27(35)26(13-6-22-4-9-24(10-5-22)31-16-1-2-17-31)23-7-11-25(12-8-23)38(36,37)33-20-18-32(19-21-33)28-29-14-3-15-30-28/h3-5,7-12,14-15,26H,1-2,6,13,16-21H2,(H,34,35)