3-methyl-2-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]butanoic acid Openeye Name: 3-methyl-2-[[4-[4-(3-pyridyl)phenyl]piperazin-1-yl]sulfonylmethyl]butanoic acid CAS Name: 3-methyl-2-[[4-[4-(3-pyridinyl)phenyl]-1-piperazinyl]sulfonylmethyl]butanoic acid IUPAC Name: 3-methyl-2-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]butanoic acid Traditional Name: 3-methyl-2-[[4-[4-(3-pyridyl)phenyl]piperazino]sulfonylmethyl]butyric acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C21H27N3O4S/c1-16(2)20(21(25)26)15-29(27,28)24-12-10-23(11-13-24)19-7-5-17(6-8-19)18-4-3-9-22-14-18/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,25,26)