cyclopentane; N-[4-(cyclopentylsulfonylamino)but-2-ynyl]-4-methyl-benzenesulfonamide; iron(2+)

Systemtic Name: cyclopentane; N-[4-(cyclopentylsulfonylamino)but-2-ynyl]-4-methyl-benzenesulfonamide; iron(2+) Openeye Name: ferrous; cyclopentane; N-[4-(cyclopentylsulfonylamino)but-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: cyclopentane; N-[4-(cyclopentylsulfonylamino)but-2-ynyl]-4-methylbenzenesulfonamide; iron(2+) IUPAC Name: cyclopentane; N-[4-(cyclopentylsulfonylamino)but-2-ynyl]-4-methylbenzenesulfonamide; iron(2+) Traditional Name: ferrous; cyclopentane; N-[4-(cyclopentylsulfonylamino)but-2-ynyl]-4-methyl-benzenesulfonamide Formula: C21H22FeN2O4S2+2 MolecularWeight: 486.38538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC#CCNS(=O)(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC#CCNS(=O)(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H17N2O4S2.C5H5.Fe/c1-14-8-10-16(11-9-14)24(21,22)18-13-5-4-12-17-23(19,20)15-6-2-3-7-15;1-2-4-5-3-1;/h2-3,6-11,17-18H,12-13H2,1H3;1-5H;/q;;+2