N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)butyramide Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3COC4=CC=CC=C4O3)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3COC4=CC=CC=C4O3)OC1=O

InChI

InChI=1S/C22H25N3O7S2/c1-25-17-8-7-15(11-20(17)32-22(25)27)34(28,29)24-16(9-10-33-2)21(26)23-12-14-13-30-18-5-3-4-6-19(18)31-14/h3-8,11,14,16,24H,9-10,12-13H2,1-2H3,(H,23,26)