methyl (2S)-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-mesitylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C19H21NO5S/c1-12-9-13(2)18(14(3)10-12)26(22,23)20-11-17(19(21)24-4)25-16-8-6-5-7-15(16)20/h5-10,17H,11H2,1-4H3/t17-/m0/s1