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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3S/c1-17-4-5-19(16-18(17)2)22(27)24-10-3-15-30(28,29)26-13-11-25(12-14-26)21-8-6-20(23)7-9-21/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)