N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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