1-[(3-chlorophenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine CAS Name: 1-[(3-chlorophenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine Traditional Name: 1-(3-chlorobenzyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)C)C

InChI

InChI=1S/C21H27ClN2O2S/c1-15-12-16(2)18(4)21(17(15)3)27(25,26)24-10-8-23(9-11-24)14-19-6-5-7-20(22)13-19/h5-7,12-13H,8-11,14H2,1-4H3