2-[4,4-dimethyl-2-oxidanylidene-3-(phenylsulfonylamino)azepan-1-yl]propanoylazanide; yttrium(3+)

Systemtic Name: 2-[4,4-dimethyl-2-oxidanylidene-3-(phenylsulfonylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[3-(benzenesulfonamido)-4,4-dimethyl-2-oxo-azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [2-[3-(benzenesulfonamido)-4,4-dimethyl-2-oxo-1-azepanyl]-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-[3-(benzenesulfonamido)-4,4-dimethyl-2-oxoazepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-(benzenesulfonamido)-2-keto-4,4-dimethyl-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C17H24N3O4SY+2 MolecularWeight: 455.36101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[NH-])N1CCCC(C(C1=O)NS(=O)(=O)C2=CC=CC=C2)(C)C.[Y+3]

Isomeric SMILES

CC(C(=O)[NH-])N1CCCC(C(C1=O)NS(=O)(=O)C2=CC=CC=C2)(C)C.[Y+3]

InChI

InChI=1S/C17H25N3O4S.Y/c1-12(15(18)21)20-11-7-10-17(2,3)14(16(20)22)19-25(23,24)13-8-5-4-6-9-13;/h4-6,8-9,12,14,19H,7,10-11H2,1-3H3,(H2,18,21);/q;+3/p-1