4-chloranyl-N'-phenyl-benzenecarboximidamide; 4-methylbenzenesulfonic acid

Systemtic Name: 4-chloranyl-N'-phenyl-benzenecarboximidamide; 4-methylbenzenesulfonic acid Openeye Name: 4-chloro-N'-phenyl-benzamidine; 4-methylbenzenesulfonic acid CAS Name: 4-chloro-N'-phenylbenzenecarboximidamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-chloro-N'-phenylbenzenecarboximidamide; 4-methylbenzenesulfonic acid Traditional Name: 4-chloro-N'-phenyl-benzamidine; tosylic acid Formula: C20H19ClN2O3S MolecularWeight: 402.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C13H11ClN2.C7H8O3S/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,(H2,15,16);2-5H,1H3,(H,8,9,10)