2-[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]ethanoic acid Openeye Name: 2-[4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid CAS Name: 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid Traditional Name: 2-(4-tosyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetic acid Formula: C17H17NO5S MolecularWeight: 347.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C17H17NO5S/c1-12-6-8-14(9-7-12)24(21,22)18-13(10-17(19)20)11-23-16-5-3-2-4-15(16)18/h2-9,13H,10-11H2,1H3,(H,19,20)