4-chloranyl-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]benzenesulfonamide Openeye Name: 4-chloro-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]benzenesulfonamide CAS Name: 4-chloro-N-[4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]butyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzenesulfonamide Traditional Name: 4-chloro-N-[4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]benzenesulfonamide Formula: C27H28ClN3O2S2 MolecularWeight: 526.11312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O2S2/c1-2-31-26(22-13-7-4-8-14-22)25(21-11-5-3-6-12-21)30-27(31)34-20-10-9-19-29-35(32,33)24-17-15-23(28)16-18-24/h3-8,11-18,29H,2,9-10,19-20H2,1H3