3-[4-azanyl-5-[2-azanylethyl(2-methoxyethyl)amino]pyrazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-azanyl-5-[2-azanylethyl(2-methoxyethyl)amino]pyrazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-amino-5-[2-aminoethyl(2-methoxyethyl)amino]pyrazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-amino-5-[2-aminoethyl(2-methoxyethyl)amino]-1-pyrazolyl]-1-propanesulfonic acid IUPAC Name: 3-[4-amino-5-[2-aminoethyl(2-methoxyethyl)amino]pyrazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-amino-5-[2-aminoethyl(2-methoxyethyl)amino]pyrazol-1-yl]propane-1-sulfonic acid Formula: C11H23N5O4S MolecularWeight: 321.39642

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCN)C1=C(C=NN1CCCS(=O)(=O)O)N

Isomeric SMILES

COCCN(CCN)C1=C(C=NN1CCCS(=O)(=O)O)N

InChI

InChI=1S/C11H23N5O4S/c1-20-7-6-15(5-3-12)11-10(13)9-14-16(11)4-2-8-21(17,18)19/h9H,2-8,12-13H2,1H3,(H,17,18,19)