4-[5-(4-chlorophenyl)-3,3-diethyl-cyclopenta-1,4-dien-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-chlorophenyl)-3,3-diethyl-cyclopenta-1,4-dien-1-yl]benzenesulfonamide Openeye Name: 4-[5-(4-chlorophenyl)-3,3-diethyl-cyclopenta-1,4-dien-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-chlorophenyl)-3,3-diethyl-1-cyclopenta-1,4-dienyl]benzenesulfonamide IUPAC Name: 4-[5-(4-chlorophenyl)-3,3-diethylcyclopenta-1,4-dien-1-yl]benzenesulfonamide Traditional Name: 4-[5-(4-chlorophenyl)-3,3-diethyl-cyclopenta-1,4-dien-1-yl]benzenesulfonamide Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)CC

Isomeric SMILES

CCC1(C=C(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)CC

InChI

InChI=1S/C21H22ClNO2S/c1-3-21(4-2)13-19(15-5-9-17(22)10-6-15)20(14-21)16-7-11-18(12-8-16)26(23,24)25/h5-14H,3-4H2,1-2H3,(H2,23,24,25)