4-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O5S/c1-29-18-7-8-19(30-2)20(15-18)31(27,28)25-13-11-24(12-14-25)21(26)23-10-9-16-3-5-17(22)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,23,26)