(phenylmethyl) N-[(4-methylphenyl)sulfonyl-pyridin-2-yl-methyl]carbamate

Systemtic Name: (phenylmethyl) N-[(4-methylphenyl)sulfonyl-pyridin-2-yl-methyl]carbamate Openeye Name: benzyl N-[p-tolylsulfonyl(2-pyridyl)methyl]carbamate CAS Name: N-[(4-methylphenyl)sulfonyl-(2-pyridinyl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4-methylphenyl)sulfonyl-pyridin-2-ylmethyl]carbamate Traditional Name: N-[2-pyridyl(tosyl)methyl]carbamic acid benzyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-16-10-12-18(13-11-16)28(25,26)20(19-9-5-6-14-22-19)23-21(24)27-15-17-7-3-2-4-8-17/h2-14,20H,15H2,1H3,(H,23,24)