4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N,5-dimethyl-thiophene-2-carboxamide

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N,5-dimethyl-thiophene-2-carboxamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N,5-dimethyl-thiophene-2-carboxamide CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-N,5-dimethyl-2-thiophenecarboxamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N,5-dimethylthiophene-2-carboxamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]sulfonyl-N,5-dimethyl-thiophene-2-carboxamide Formula: C17H20FN3O3S2 MolecularWeight: 397.487403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O3S2/c1-12-16(11-15(25-12)17(22)19-2)26(23,24)21-9-7-20(8-10-21)14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,19,22)