1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(2-furyl)propan-1-one CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-(2-furanyl)-1-propanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-(2-furyl)propan-1-one Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CO3

InChI

InChI=1S/C21H28N2O4S/c1-21(2,3)17-6-9-19(10-7-17)28(25,26)23-14-12-22(13-15-23)20(24)11-8-18-5-4-16-27-18/h4-7,9-10,16H,8,11-15H2,1-3H3