2-(1-adamantyl)-2-[[4-(carboxymethyl)-3-oxidanylidene-1,4-benzoxazin-7-yl]sulfonylamino]ethanoic acid

Systemtic Name: 2-(1-adamantyl)-2-[[4-(carboxymethyl)-3-oxidanylidene-1,4-benzoxazin-7-yl]sulfonylamino]ethanoic acid Openeye Name: 2-(1-adamantyl)-2-[[4-(carboxymethyl)-3-oxo-1,4-benzoxazin-7-yl]sulfonylamino]acetic acid CAS Name: 2-(1-adamantyl)-2-[[4-(carboxymethyl)-3-oxo-1,4-benzoxazin-7-yl]sulfonylamino]acetic acid IUPAC Name: 2-(1-adamantyl)-2-[[4-(carboxymethyl)-3-oxo-1,4-benzoxazin-7-yl]sulfonylamino]acetic acid Traditional Name: 2-(1-adamantyl)-2-[[4-(carboxymethyl)-3-keto-1,4-benzoxazin-7-yl]sulfonylamino]acetic acid Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)O)NS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)CO5)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C(=O)O)NS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)CO5)CC(=O)O

InChI

InChI=1S/C22H26N2O8S/c25-18-11-32-17-6-15(1-2-16(17)24(18)10-19(26)27)33(30,31)23-20(21(28)29)22-7-12-3-13(8-22)5-14(4-12)9-22/h1-2,6,12-14,20,23H,3-5,7-11H2,(H,26,27)(H,28,29)