1-[4-chloranyl-3-(2-methylphenyl)-5-propylsulfonyl-phenyl]-4-ethyl-piperazine

Systemtic Name: 1-[4-chloranyl-3-(2-methylphenyl)-5-propylsulfonyl-phenyl]-4-ethyl-piperazine Openeye Name: 1-[4-chloro-3-(o-tolyl)-5-propylsulfonyl-phenyl]-4-ethyl-piperazine CAS Name: 1-[4-chloro-3-(2-methylphenyl)-5-propylsulfonylphenyl]-4-ethylpiperazine IUPAC Name: 1-[4-chloro-3-(2-methylphenyl)-5-propylsulfonylphenyl]-4-ethylpiperazine Traditional Name: 1-[4-chloro-3-(o-tolyl)-5-propylsulfonyl-phenyl]-4-ethyl-piperazine Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2S/c1-4-14-28(26,27)21-16-18(25-12-10-24(5-2)11-13-25)15-20(22(21)23)19-9-7-6-8-17(19)3/h6-9,15-16H,4-5,10-14H2,1-3H3