4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluoranylphenoxy)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluoranylphenoxy)ethyl]piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC=C3F

InChI

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