4-[4-(phenylmethyl)piperazin-1-yl]sulfonylbutanoic acid

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]sulfonylbutanoic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)sulfonylbutanoic acid CAS Name: 4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]butanoic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)sulfonylbutanoic acid Traditional Name: 4-(4-benzylpiperazino)sulfonylbutyric acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C15H22N2O4S/c18-15(19)7-4-12-22(20,21)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,19)