4-bromanylbenzenesulfonic acid; 1,2-diphenylguanidine

Systemtic Name: 4-bromanylbenzenesulfonic acid; 1,2-diphenylguanidine Openeye Name: 4-bromobenzenesulfonic acid; 1,2-diphenylguanidine CAS Name: 4-bromobenzenesulfonic acid; 1,2-diphenylguanidine IUPAC Name: 4-bromobenzenesulfonic acid; 1,2-diphenylguanidine Traditional Name: brosylic acid; 1,2-diphenylguanidine Formula: C19H18BrN3O3S MolecularWeight: 448.33352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.C1=CC(=CC=C1S(=O)(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.C1=CC(=CC=C1S(=O)(=O)O)Br

InChI

InChI=1S/C13H13N3.C6H5BrO3S/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-5-1-3-6(4-2-5)11(8,9)10/h1-10H,(H3,14,15,16);1-4H,(H,8,9,10)