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

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(2-furyl)methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-(2-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=CC=CO3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C)C(C)(C)C

InChI

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