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

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-furyl)methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-methyl-3-furanyl)methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-(2-methyl-3-furyl)methanone Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-15-13-18(22(4,5)6)14-16(2)20(15)29(26,27)24-10-8-23(9-11-24)21(25)19-7-12-28-17(19)3/h7,12-14H,8-11H2,1-6H3