1-(1,3-benzoxazol-2-yl)-2,3-bis-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-2,3-bis-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-(1,3-benzoxazol-2-yl)-2,3-bis(p-tolylsulfonyl)guanidine CAS Name: 1-(1,3-benzoxazol-2-yl)-2,3-bis-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-(1,3-benzoxazol-2-yl)-2,3-bis-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-(1,3-benzoxazol-2-yl)-2,3-ditosyl-guanidine Formula: C22H20N4O5S2 MolecularWeight: 484.548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NS(=O)(=O)C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)C)/NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N4O5S2/c1-15-7-11-17(12-8-15)32(27,28)25-21(24-22-23-19-5-3-4-6-20(19)31-22)26-33(29,30)18-13-9-16(2)10-14-18/h3-14H,1-2H3,(H2,23,24,25,26)