1-[4-(1-sulfobutyl)piperazin-1-yl]butane-1-sulfonic acid

Systemtic Name: 1-[4-(1-sulfobutyl)piperazin-1-yl]butane-1-sulfonic acid Openeye Name: 1-[4-(1-sulfobutyl)piperazin-1-yl]butane-1-sulfonic acid CAS Name: 1-[4-(1-sulfobutyl)-1-piperazinyl]-1-butanesulfonic acid IUPAC Name: 1-[4-(1-sulfobutyl)piperazin-1-yl]butane-1-sulfonic acid Traditional Name: 1-[4-(1-sulfobutyl)piperazino]butane-1-sulfonic acid Formula: C12H26N2O6S2 MolecularWeight: 358.47464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1CCN(CC1)C(CCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCC(N1CCN(CC1)C(CCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H26N2O6S2/c1-3-5-11(21(15,16)17)13-7-9-14(10-8-13)12(6-4-2)22(18,19)20/h11-12H,3-10H2,1-2H3,(H,15,16,17)(H,18,19,20)