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

Systemtic Name: 2-methyl-4-[[[6-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrimidin-4-yl]sulfonylamino]methyl]benzoic acid Openeye Name: 2-methyl-4-[[[6-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrimidin-4-yl]sulfonylamino]methyl]benzoic acid CAS Name: 2-methyl-4-[[[6-[oxo-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]methyl]-4-pyrimidinyl]sulfonylamino]methyl]benzoic acid IUPAC Name: 2-methyl-4-[[[6-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrimidin-4-yl]sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[[6-[(3-keto-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrimidin-4-yl]sulfonylamino]methyl]-2-methyl-benzoic acid Formula: C23H21N5O7S MolecularWeight: 511.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNS(=O)(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCC(=O)N4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CNS(=O)(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=C(C=C3)OCC(=O)N4)C(=O)O

InChI

InChI=1S/C23H21N5O7S/c1-13-6-14(2-4-16(13)23(31)32)10-27-36(33,34)21-8-18(25-12-26-21)22(30)24-9-15-3-5-19-17(7-15)28-20(29)11-35-19/h2-8,12,27H,9-11H2,1H3,(H,24,30)(H,28,29)(H,31,32)