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

Systemtic Name: 2-[4-methyl-2-oxidanylidene-3-(phenylsulfonylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[3-(benzenesulfonamido)-4-methyl-2-oxo-azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [2-[3-(benzenesulfonamido)-4-methyl-2-oxo-1-azepanyl]-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-[3-(benzenesulfonamido)-4-methyl-2-oxoazepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-(benzenesulfonamido)-2-keto-4-methyl-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C16H22N3O4SY+2 MolecularWeight: 441.33443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C(=O)C1NS(=O)(=O)C2=CC=CC=C2)C(C)C(=O)[NH-].[Y+3]

Isomeric SMILES

CC1CCCN(C(=O)C1NS(=O)(=O)C2=CC=CC=C2)C(C)C(=O)[NH-].[Y+3]

InChI

InChI=1S/C16H23N3O4S.Y/c1-11-7-6-10-19(12(2)15(17)20)16(21)14(11)18-24(22,23)13-8-4-3-5-9-13;/h3-5,8-9,11-12,14,18H,6-7,10H2,1-2H3,(H2,17,20);/q;+3/p-1