1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine

Systemtic Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine Openeye Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine CAS Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-[2-(methylthio)phenyl]piperazine IUPAC Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine Traditional Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-[2-(methylthio)phenyl]piperazine Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC)C)C)OC

InChI

InChI=1S/C21H28N2O3S2/c1-15-14-19(26-4)16(2)17(3)21(15)28(24,25)23-12-10-22(11-13-23)18-8-6-7-9-20(18)27-5/h6-9,14H,10-13H2,1-5H3