2-(butylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)hexanoic acid

Systemtic Name: 2-(butylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)hexanoic acid Openeye Name: 2-(butylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid CAS Name: 2-(butylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid IUPAC Name: 2-(butylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)hexanoic acid Traditional Name: 2-(butylsulfonylamino)-6-(1H-imidazol-2-ylamino)-6-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)hexanoic acid Formula: C21H27N5O7S MolecularWeight: 493.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CCCC(=O)NC1=NC=CN1)(C2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CCCC(=O)NC1=NC=CN1)(C2=CC3=C(C=C2)OCC(=O)N3)C(=O)O

InChI

InChI=1S/C21H27N5O7S/c1-2-3-11-34(31,32)26-21(19(29)30,8-4-5-17(27)25-20-22-9-10-23-20)14-6-7-16-15(12-14)24-18(28)13-33-16/h6-7,9-10,12,26H,2-5,8,11,13H2,1H3,(H,24,28)(H,29,30)(H2,22,23,25,27)