1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O5S/c1-15-13-17(6-7-18(15)22)30(25,26)24-11-9-23(10-12-24)14-16-5-8-19(27-2)21(29-4)20(16)28-3/h5-8,13H,9-12,14H2,1-4H3