N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]ethyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]ethyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C28H29ClN4O6S2 MolecularWeight: 617.13606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=C(N=C1SCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29ClN4O6S2/c1-4-16-32-27(20-7-11-22(39-3)12-8-20)26(19-5-9-21(38-2)10-6-19)31-28(32)40-17-15-30-41(36,37)23-13-14-24(29)25(18-23)33(34)35/h5-14,18,30H,4,15-17H2,1-3H3