1-[(4-fluorophenyl)methyl]-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-(4-fluorobenzyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Formula: C21H27FN2O3S MolecularWeight: 406.514083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)F)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)F)C)C)OC

InChI

InChI=1S/C21H27FN2O3S/c1-15-13-20(27-4)16(2)17(3)21(15)28(25,26)24-11-9-23(10-12-24)14-18-5-7-19(22)8-6-18/h5-8,13H,9-12,14H2,1-4H3