guanidine; 2-hydroxyethylsulfonyl 3-(hydroxymethyl)-5-pyrrol-1-yl-benzoate

Systemtic Name: guanidine; 2-hydroxyethylsulfonyl 3-(hydroxymethyl)-5-pyrrol-1-yl-benzoate Openeye Name: guanidine; 2-hydroxyethylsulfonyl 3-(hydroxymethyl)-5-pyrrol-1-yl-benzoate CAS Name: guanidine; 3-(hydroxymethyl)-5-(1-pyrrolyl)benzoic acid 2-hydroxyethylsulfonyl ester IUPAC Name: guanidine; 2-hydroxyethylsulfonyl 3-(hydroxymethyl)-5-pyrrol-1-ylbenzoate Traditional Name: guanidine; 3-methylol-5-pyrrol-1-yl-benzoic acid 2-hydroxyethylsulfonyl ester Formula: C15H20N4O6S MolecularWeight: 384.4075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=CC(=C2)CO)C(=O)OS(=O)(=O)CCO.C(=N)(N)N

Isomeric SMILES

C1=CN(C=C1)C2=CC(=CC(=C2)CO)C(=O)OS(=O)(=O)CCO.C(=N)(N)N

InChI

InChI=1S/C14H15NO6S.CH5N3/c16-5-6-22(19,20)21-14(18)12-7-11(10-17)8-13(9-12)15-3-1-2-4-15;2-1(3)4/h1-4,7-9,16-17H,5-6,10H2;(H5,2,3,4)