4-(3,4-dimethylphenyl)sulfonyl-N-[2-(3-fluoranylphenoxy)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[2-(3-fluoranylphenoxy)ethyl]piperazine-1-carboxamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H26FN3O4S/c1-16-6-7-20(14-17(16)2)30(27,28)25-11-9-24(10-12-25)21(26)23-8-13-29-19-5-3-4-18(22)15-19/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)