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

Systemtic Name: methyl 3-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 3-[(4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid methyl ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O6S/c1-31-24(28)18-10-7-11-19(14-18)25-23(27)22-15-26(20-12-5-6-13-21(20)32-22)33(29,30)16-17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3,(H,25,27)