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

Systemtic Name: butyl 4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate CAS Name: 4-[[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]benzoate Traditional Name: 4-[(4-esyl-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=CC=CC=C3O2)S(=O)(=O)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

InChI

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