4-[2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid Openeye Name: 4-[2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid CAS Name: 4-[2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid IUPAC Name: 4-[2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid Traditional Name: 4-[2-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonylamino]ethoxy]benzoic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NCCOC3=CC=C(C=C3)C(=O)O)NC(=O)CO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NCCOC3=CC=C(C=C3)C(=O)O)NC(=O)CO2

InChI

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