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

Systemtic Name: butyl 4-[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 4-[[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 4-[(4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoic acid butyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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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)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-4-5-12-29-22(26)16-7-9-17(10-8-16)23-21(25)20-14-24(31(3,27)28)18-13-15(2)6-11-19(18)30-20/h6-11,13,20H,4-5,12,14H2,1-3H3,(H,23,25)