3-[(4-methylphenyl)sulfonylmethyl]-1,4-benzoxazin-2-one

Systemtic Name: 3-[(4-methylphenyl)sulfonylmethyl]-1,4-benzoxazin-2-one Openeye Name: 3-(p-tolylsulfonylmethyl)-1,4-benzoxazin-2-one CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-1,4-benzoxazin-2-one IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]-1,4-benzoxazin-2-one Traditional Name: 3-(tosylmethyl)-1,4-benzoxazin-2-one Formula: C16H13NO4S MolecularWeight: 315.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H13NO4S/c1-11-6-8-12(9-7-11)22(19,20)10-14-16(18)21-15-5-3-2-4-13(15)17-14/h2-9H,10H2,1H3