2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid CAS Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid IUPAC Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid Traditional Name: 2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid Formula: C9H20N2O6S2 MolecularWeight: 316.3949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C9H20N2O6S2/c12-18(13,14)8-6-10-2-1-3-11(5-4-10)7-9-19(15,16)17/h1-9H2,(H,12,13,14)(H,15,16,17)