2-[2-oxidanylidene-2-[[6-oxidanylidene-6-[(3-phenylphenyl)amino]hexyl]amino]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[6-oxidanylidene-6-[(3-phenylphenyl)amino]hexyl]amino]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-[[6-oxo-6-(3-phenylanilino)hexyl]amino]ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[[6-keto-6-(3-phenylanilino)hexyl]amino]ethyl]thio]acetic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)CCCCCNC(=O)CSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)CCCCCNC(=O)CSCC(=O)O

InChI

InChI=1S/C22H26N2O4S/c25-20(12-5-2-6-13-23-21(26)15-29-16-22(27)28)24-19-11-7-10-18(14-19)17-8-3-1-4-9-17/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H,23,26)(H,24,25)(H,27,28)