3-[2-[(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid

Systemtic Name: 3-[2-[(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid Openeye Name: 3-[2-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid CAS Name: 3-[2-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid IUPAC Name: 3-[2-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid Traditional Name: 3-[2-[(3-keto-4-methyl-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)NCCOC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)NCCOC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O7S/c1-20-15-10-14(5-6-16(15)27-11-17(20)21)28(24,25)19-7-8-26-13-4-2-3-12(9-13)18(22)23/h2-6,9-10,19H,7-8,11H2,1H3,(H,22,23)