N-[bis(azanyl)methylidene]-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide; 2-oxidanylethanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide; 2-oxidanylethanesulfonic acid Openeye Name: N-(diaminomethylene)-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide; 2-hydroxyethanesulfonic acid CAS Name: N-(diaminomethylidene)-3-(hydroxymethyl)-5-(1-pyrrolyl)benzamide; 2-hydroxyethanesulfonic acid IUPAC Name: N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide; 2-hydroxyethanesulfonic acid Traditional Name: N-(diaminomethylene)-3-methylol-5-pyrrol-1-yl-benzamide; 2-hydroxyethanesulfonic acid 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)N=C(N)N.C(CS(=O)(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2.C2H6O4S/c14-13(15)16-12(19)10-5-9(8-18)6-11(7-10)17-3-1-2-4-17;3-1-2-7(4,5)6/h1-7,18H,8H2,(H4,14,15,16,19);3H,1-2H2,(H,4,5,6)