1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-4-(4-isobutylphenyl)sulfonyl-piperazine CAS Name: 1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine Traditional Name: 1-(2,4-dichlorobenzyl)-4-(4-isobutylphenyl)sulfonyl-piperazine Formula: C21H26Cl2N2O2S MolecularWeight: 441.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O2S/c1-16(2)13-17-3-7-20(8-4-17)28(26,27)25-11-9-24(10-12-25)15-18-5-6-19(22)14-21(18)23/h3-8,14,16H,9-13,15H2,1-2H3