2-[4-azanyl-5-[2-azanylethyl-(2-azanyl-2-oxidanylidene-ethyl)amino]pyrazol-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-azanyl-5-[2-azanylethyl-(2-azanyl-2-oxidanylidene-ethyl)amino]pyrazol-1-yl]ethanesulfonic acid Openeye Name: 2-[4-amino-5-[2-aminoethyl-(2-amino-2-oxo-ethyl)amino]pyrazol-1-yl]ethanesulfonic acid CAS Name: 2-[4-amino-5-[2-aminoethyl-(2-amino-2-oxoethyl)amino]-1-pyrazolyl]ethanesulfonic acid IUPAC Name: 2-[4-amino-5-[2-aminoethyl-(2-amino-2-oxoethyl)amino]pyrazol-1-yl]ethanesulfonic acid Traditional Name: 2-[4-amino-5-[2-aminoethyl-(2-amino-2-keto-ethyl)amino]pyrazol-1-yl]ethanesulfonic acid Formula: C9H18N6O4S MolecularWeight: 306.34202

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=C1N)N(CCN)CC(=O)N)CCS(=O)(=O)O

Isomeric SMILES

C1=NN(C(=C1N)N(CCN)CC(=O)N)CCS(=O)(=O)O

InChI

InChI=1S/C9H18N6O4S/c10-1-2-14(6-8(12)16)9-7(11)5-13-15(9)3-4-20(17,18)19/h5H,1-4,6,10-11H2,(H2,12,16)(H,17,18,19)