4-(4-tert-butylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C26H36N2O4S/c1-20-8-13-24(19-21(20)2)33(30,31)28-16-14-27(15-17-28)25(29)7-6-18-32-23-11-9-22(10-12-23)26(3,4)5/h8-13,19H,6-7,14-18H2,1-5H3