N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxamide

Systemtic Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxamide Openeye Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide CAS Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide IUPAC Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide Traditional Name: 3-keto-N-[(1S)-1-(4-mesylphenyl)ethyl]-4H-1,4-benzoxazine-6-carboxamide Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H18N2O5S/c1-11(12-3-6-14(7-4-12)26(2,23)24)19-18(22)13-5-8-16-15(9-13)20-17(21)10-25-16/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)/t11-/m0/s1