3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]butanoic acid

Systemtic Name: 3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]butanoic acid Openeye Name: 3-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]butanoic acid CAS Name: 3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]butanoic acid IUPAC Name: 3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]butanoic acid Traditional Name: 3-[4-(4-sec-butylphenyl)sulfonylpiperazino]butyric acid Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S/c1-4-14(2)16-5-7-17(8-6-16)25(23,24)20-11-9-19(10-12-20)15(3)13-18(21)22/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22)