3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H38N2O4S/c1-26(2,3)22-18-20(19-23(25(22)31)27(4,5)6)12-13-24(30)28-14-16-29(17-15-28)34(32,33)21-10-8-7-9-11-21/h7-11,18-19,31H,12-17H2,1-6H3