(6-carbamimidoylnaphthalen-2-yl) 2-methylbenzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 2-methylbenzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 2-methylbenzoate; methanesulfonic acid CAS Name: methanesulfonic acid; 2-methylbenzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 2-methylbenzoate; methanesulfonic acid Traditional Name: mesylic acid; 2-methylbenzoic acid (6-amidino-2-naphthyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C19H16N2O2.CH4O3S/c1-12-4-2-3-5-17(12)19(22)23-16-9-8-13-10-15(18(20)21)7-6-14(13)11-16;1-5(2,3)4/h2-11H,1H3,(H3,20,21);1H3,(H,2,3,4)