4-(2,5-dimethylphenyl)sulfonyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoro-4-methoxy-benzyl)piperazine-1-carboxamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H26FN3O4S/c1-15-4-5-16(2)20(12-15)30(27,28)25-10-8-24(9-11-25)21(26)23-14-17-6-7-19(29-3)18(22)13-17/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)