methyl 2-methylbenzenesulfonate; 2-phenylethanimidamide

Systemtic Name: methyl 2-methylbenzenesulfonate; 2-phenylethanimidamide Openeye Name: methyl 2-methylbenzenesulfonate; 2-phenylacetamidine CAS Name: 2-methylbenzenesulfonic acid methyl ester; 2-phenylethanimidamide IUPAC Name: methyl 2-methylbenzenesulfonate; 2-phenylethanimidamide Traditional Name: 2-methylbenzenesulfonic acid methyl ester; 2-phenylacetamidine Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC.C1=CC=C(C=C1)CC(=N)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC.C1=CC=C(C=C1)CC(=N)N

InChI

InChI=1S/C8H10N2.C8H10O3S/c9-8(10)6-7-4-2-1-3-5-7;1-7-5-3-4-6-8(7)12(9,10)11-2/h1-5H,6H2,(H3,9,10);3-6H,1-2H3