1-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine

Systemtic Name: 1-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dichloro-5-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-(2,4-dichloro-5-methyl-phenyl)sulfonyl-piperazine Formula: C22H28Cl2N2O2S MolecularWeight: 455.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28Cl2N2O2S/c1-16-13-21(20(24)14-19(16)23)29(27,28)26-11-9-25(10-12-26)15-17-5-7-18(8-6-17)22(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3