(N'-cyanocarbamimidoyl) 2-phenylbenzenesulfonate

Systemtic Name: (N'-cyanocarbamimidoyl) 2-phenylbenzenesulfonate Openeye Name: (N'-cyanocarbamimidoyl) 2-phenylbenzenesulfonate CAS Name: 2-phenylbenzenesulfonic acid [amino(cyanoimino)methyl] ester IUPAC Name: (N'-cyanocarbamimidoyl) 2-phenylbenzenesulfonate Traditional Name: 2-phenylbenzenesulfonic acid (N'-cyanoamidino) ester Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)OC(=NC#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)OC(=NC#N)N

InChI

InChI=1S/C14H11N3O3S/c15-10-17-14(16)20-21(18,19)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,(H2,16,17)