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

Systemtic Name: butyl 4-[[4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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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)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6S/c1-2-3-17-34-27(31)21-13-15-22(16-14-21)28-26(30)25-18-29(23-11-7-8-12-24(23)35-25)36(32,33)19-20-9-5-4-6-10-20/h4-16,25H,2-3,17-19H2,1H3,(H,28,30)