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

Systemtic Name: methyl (2S)-4-(4-acetamidophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(4-acetamidophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(4-acetamidophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(4-acetamidophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(4-acetamidophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H18N2O6S/c1-12(21)19-13-7-9-14(10-8-13)27(23,24)20-11-17(18(22)25-2)26-16-6-4-3-5-15(16)20/h3-10,17H,11H2,1-2H3,(H,19,21)/t17-/m0/s1