1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-2-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21FN2O4S/c1-14-10-16(20)3-5-19(14)27(23,24)22-8-6-21(7-9-22)12-15-2-4-17-18(11-15)26-13-25-17/h2-5,10-11H,6-9,12-13H2,1H3