N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide Openeye Name: N-(1-benzyloxyallyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide Traditional Name: N-(1-benzoxyallyl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C26H24ClN3O5S MolecularWeight: 526.00386

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(N(CCC1=CNC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

C=CC(N(CCC1=CNC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C26H24ClN3O5S/c1-2-26(35-18-19-6-4-3-5-7-19)29(36(33,34)23-11-9-22(10-12-23)30(31)32)15-14-20-17-28-25-13-8-21(27)16-24(20)25/h2-13,16-17,26,28H,1,14-15,18H2