3-[4-azanyl-5-(2,5-dihydropyrrol-1-yl)pyrazol-1-yl]butane-2-sulfonic acid

Systemtic Name: 3-[4-azanyl-5-(2,5-dihydropyrrol-1-yl)pyrazol-1-yl]butane-2-sulfonic acid Openeye Name: 3-[4-amino-5-(2,5-dihydropyrrol-1-yl)pyrazol-1-yl]butane-2-sulfonic acid CAS Name: 3-[4-amino-5-(2,5-dihydropyrrol-1-yl)-1-pyrazolyl]-2-butanesulfonic acid IUPAC Name: 3-[4-amino-5-(2,5-dihydropyrrol-1-yl)pyrazol-1-yl]butane-2-sulfonic acid Traditional Name: 3-[4-amino-5-(3-pyrrolin-1-yl)pyrazol-1-yl]butane-2-sulfonic acid Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)S(=O)(=O)O)N1C(=C(C=N1)N)N2CC=CC2

Isomeric SMILES

CC(C(C)S(=O)(=O)O)N1C(=C(C=N1)N)N2CC=CC2

InChI

InChI=1S/C11H18N4O3S/c1-8(9(2)19(16,17)18)15-11(10(12)7-13-15)14-5-3-4-6-14/h3-4,7-9H,5-6,12H2,1-2H3,(H,16,17,18)