1-(4-bromanyl-2-tert-butyl-5-methyl-phenyl)sulfonyl-4-(3-chloranyl-4-methyl-phenyl)piperazine

Systemtic Name: 1-(4-bromanyl-2-tert-butyl-5-methyl-phenyl)sulfonyl-4-(3-chloranyl-4-methyl-phenyl)piperazine Openeye Name: 1-(4-bromo-2-tert-butyl-5-methyl-phenyl)sulfonyl-4-(3-chloro-4-methyl-phenyl)piperazine CAS Name: 1-(4-bromo-2-tert-butyl-5-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine IUPAC Name: 1-(4-bromo-2-tert-butyl-5-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine Traditional Name: 1-(4-bromo-2-tert-butyl-5-methyl-phenyl)sulfonyl-4-(3-chloro-4-methyl-phenyl)piperazine Formula: C22H28BrClN2O2S MolecularWeight: 499.89192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Br)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Br)C(C)(C)C)Cl

InChI

InChI=1S/C22H28BrClN2O2S/c1-15-6-7-17(13-20(15)24)25-8-10-26(11-9-25)29(27,28)21-12-16(2)19(23)14-18(21)22(3,4)5/h6-7,12-14H,8-11H2,1-5H3