ethyl 4-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 4-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid ethyl ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O6S/c1-2-32-25(29)19-12-14-20(15-13-19)26-24(28)23-16-27(21-10-6-7-11-22(21)33-23)34(30,31)17-18-8-4-3-5-9-18/h3-15,23H,2,16-17H2,1H3,(H,26,28)