2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-(phenylsulfonyl)cyclohexan-1-one

Systemtic Name: 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-(phenylsulfonyl)cyclohexan-1-one Openeye Name: 3-(benzenesulfonyl)-2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)cyclohexanone CAS Name: 3-(benzenesulfonyl)-2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-1-cyclohexanone IUPAC Name: 3-(benzenesulfonyl)-2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)cyclohexan-1-one Traditional Name: 3-besyl-2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)cyclohexanone Formula: C21H19ClO6S2 MolecularWeight: 466.95496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClO6S2/c22-20-14-11-12-29(25,26)17(14)10-9-15(20)21(24)19-16(23)7-4-8-18(19)30(27,28)13-5-2-1-3-6-13/h1-3,5-6,9-10,18-19H,4,7-8,11-12H2