4-[7-(4-sulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]benzenesulfonamide

Systemtic Name: 4-[7-(4-sulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]benzenesulfonamide Openeye Name: 4-[7-(4-sulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]benzenesulfonamide CAS Name: 4-[7-(4-mercaptophenyl)-8-spiro[4.4]nona-6,8-dienyl]benzenesulfonamide IUPAC Name: 4-[7-(4-sulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]benzenesulfonamide Traditional Name: 4-[7-(4-mercaptophenyl)spiro[4.4]nona-6,8-dien-8-yl]benzenesulfonamide Formula: C21H21NO2S2 MolecularWeight: 383.52694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C=C(C(=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)S

Isomeric SMILES

C1CCC2(C1)C=C(C(=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)S

InChI

InChI=1S/C21H21NO2S2/c22-26(23,24)18-9-5-16(6-10-18)20-14-21(11-1-2-12-21)13-19(20)15-3-7-17(25)8-4-15/h3-10,13-14,25H,1-2,11-12H2,(H2,22,23,24)