N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C28H29ClN4O4S2 MolecularWeight: 585.13726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29ClN4O4S2/c1-2-3-18-32-27(22-13-8-5-9-14-22)26(21-11-6-4-7-12-21)31-28(32)38-19-10-17-30-39(36,37)23-15-16-24(29)25(20-23)33(34)35/h4-9,11-16,20,30H,2-3,10,17-19H2,1H3