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

Systemtic Name: 2-[2-oxidanylidene-3-(phenylsulfonylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[3-(benzenesulfonamido)-2-oxo-azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [2-[3-(benzenesulfonamido)-2-oxo-1-azepanyl]-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-[3-(benzenesulfonamido)-2-oxoazepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-(benzenesulfonamido)-2-keto-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C15H20N3O4SY+2 MolecularWeight: 427.30785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[NH-])N1CCCCC(C1=O)NS(=O)(=O)C2=CC=CC=C2.[Y+3]

Isomeric SMILES

CC(C(=O)[NH-])N1CCCCC(C1=O)NS(=O)(=O)C2=CC=CC=C2.[Y+3]

InChI

InChI=1S/C15H21N3O4S.Y/c1-11(14(16)19)18-10-6-5-9-13(15(18)20)17-23(21,22)12-7-3-2-4-8-12;/h2-4,7-8,11,13,17H,5-6,9-10H2,1H3,(H2,16,19);/q;+3/p-1