1-(3-chloranyl-4-methyl-phenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C)Cl

InChI

InChI=1S/C21H27ClN2O2S/c1-14-6-7-19(13-20(14)22)23-8-10-24(11-9-23)27(25,26)21-17(4)15(2)12-16(3)18(21)5/h6-7,12-13H,8-11H2,1-5H3