[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(cyclohexylsulfanylmethyl)benzofuran-2-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-[(cyclohexylthio)methyl]-2-benzofuranyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-[(cyclohexylthio)methyl]benzofuran-2-yl]-(4-tosylpiperazino)methanone Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C27H32N2O4S2/c1-20-11-13-22(14-12-20)35(31,32)29-17-15-28(16-18-29)27(30)26-24(19-34-21-7-3-2-4-8-21)23-9-5-6-10-25(23)33-26/h5-6,9-14,21H,2-4,7-8,15-19H2,1H3