[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(furan-3-yl)methanone

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(furan-3-yl)methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(3-furyl)methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-(3-furanyl)methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-3-yl)methanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-(3-furyl)methanone Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=COC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=COC=C3)C)C(C)(C)C

InChI

InChI=1S/C21H28N2O4S/c1-15-12-18(21(3,4)5)13-16(2)19(15)28(25,26)23-9-7-22(8-10-23)20(24)17-6-11-27-14-17/h6,11-14H,7-10H2,1-5H3