N-(2-cyclohepta-2,4-dien-1-yl-2,2-diphenyl-ethyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyclohepta-2,4-dien-1-yl-2,2-diphenyl-ethyl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-cyclohepta-2,4-dien-1-yl-2,2-diphenyl-ethyl)-4-nitro-benzenesulfonamide CAS Name: N-[2-(1-cyclohepta-2,4-dienyl)-2,2-diphenylethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-cyclohepta-2,4-dien-1-yl-2,2-diphenylethyl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-cyclohepta-2,4-dien-1-yl-2,2-diphenyl-ethyl)-4-nitro-benzenesulfonamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(C=CC=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4S/c30-29(31)25-17-19-26(20-18-25)34(32,33)28-21-27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)22-11-5-1-2-6-12-22/h1-5,7-11,13-20,22,28H,6,12,21H2