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

Systemtic Name: 4-chloranyl-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]butyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]-3-nitro-benzenesulfonamide Formula: C27H27ClN4O4S2 MolecularWeight: 571.11068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O4S2/c1-2-31-26(21-13-7-4-8-14-21)25(20-11-5-3-6-12-20)30-27(31)37-18-10-9-17-29-38(35,36)22-15-16-23(28)24(19-22)32(33)34/h3-8,11-16,19,29H,2,9-10,17-18H2,1H3