3-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(m-tolylsulfonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-(m-tolylsulfonyl)piperazino]propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-12-3-2-4-13(11-12)21(19,20)16-9-7-15(8-10-16)6-5-14(17)18/h2-4,11H,5-10H2,1H3,(H,17,18)