2-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]acetic acid CAS Name: 2-[4-(3-cyanophenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-cyanophenyl)sulfonylpiperazino]acetic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H15N3O4S/c14-9-11-2-1-3-12(8-11)21(19,20)16-6-4-15(5-7-16)10-13(17)18/h1-3,8H,4-7,10H2,(H,17,18)