4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; 2-oxidanylethanesulfonic acid

Systemtic Name: 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; 2-oxidanylethanesulfonic acid Openeye Name: 4-[(E)-2-(4-carbamimidoylphenyl)vinyl]benzamidine; 2-hydroxyethanesulfonic acid CAS Name: 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; 2-hydroxyethanesulfonic acid IUPAC Name: 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; 2-hydroxyethanesulfonic acid Traditional Name: 4-[(E)-2-(4-amidinophenyl)vinyl]benzamidine; 2-hydroxyethanesulfonic acid Formula: C20H28N4O8S2 MolecularWeight: 516.58832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C16H16N4.2C2H6O4S/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20;2*3-1-2-7(4,5)6/h1-10H,(H3,17,18)(H3,19,20);2*3H,1-2H2,(H,4,5,6)/b2-1+;;