butyl 4-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 4-[[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 4-[(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid butyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN2O6S/c1-3-4-11-29-21(26)14-5-8-16(9-6-14)23-20(25)19-13-24(31(2,27)28)17-12-15(22)7-10-18(17)30-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,25)