(3aS,7aR)-3-(4-methylphenyl)sulfonyl-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one

Systemtic Name: (3aS,7aR)-3-(4-methylphenyl)sulfonyl-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one Openeye Name: (3aS,7aR)-3-(p-tolylsulfonyl)-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one CAS Name: (3aS,7aR)-3-(4-methylphenyl)sulfonyl-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one IUPAC Name: (3aS,7aR)-3-(4-methylphenyl)sulfonyl-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one Traditional Name: (3aS,7aR)-3-tosyl-3a,4,5,7a-tetrahydro-1,3-benzoxazol-2-one Formula: C14H15NO4S MolecularWeight: 293.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC=CC3OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CCC=C[C@H]3OC2=O

InChI

InChI=1S/C14H15NO4S/c1-10-6-8-11(9-7-10)20(17,18)15-12-4-2-3-5-13(12)19-14(15)16/h3,5-9,12-13H,2,4H2,1H3/t12-,13+/m0/s1