N-[(2S)-1-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanyl-3-phenyl-propan-2-yl]-4-methyl-benzenesulfonamide; iron(2+)

Systemtic Name: N-[(2S)-1-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanyl-3-phenyl-propan-2-yl]-4-methyl-benzenesulfonamide; iron(2+) Openeye Name: ferrous N-[(1S)-1-benzyl-2-(3-cyclopentyl-3-oxo-propyl)sulfanyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[(3-cyclopentyl-3-oxopropyl)thio]-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide; iron(2+) IUPAC Name: N-[(2S)-1-(3-cyclopentyl-3-oxopropyl)sulfanyl-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide; iron(2+) Traditional Name: ferrous N-[(1S)-1-benzyl-2-[(3-cyclopentyl-3-keto-propyl)thio]ethyl]-4-methyl-benzenesulfonamide Formula: C48H52FeN2O6S4+2 MolecularWeight: 937.04128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CSCCC(=O)[C]3[CH][CH][CH][CH]3.CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CSCCC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)CSCCC(=O)[C]3[CH][CH][CH][CH]3.CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)CSCCC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/2C24H26NO3S2.Fe/c2*1-19-11-13-23(14-12-19)30(27,28)25-22(17-20-7-3-2-4-8-20)18-29-16-15-24(26)21-9-5-6-10-21;/h2*2-14,22,25H,15-18H2,1H3;/q;;+2/t2*22-;/m00./s1