N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethyl-benzamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethyl-benzamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]-3,4-dimethylbenzamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]sulfonylpropyl]-3,4-dimethyl-benzamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C22H28FN3O3S/c1-17-8-9-19(16-18(17)2)22(27)24-10-5-15-30(28,29)26-13-11-25(12-14-26)21-7-4-3-6-20(21)23/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)