1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C25H33FN4O3S MolecularWeight: 488.617923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H33FN4O3S/c1-20-5-3-6-24(21(20)2)28-14-16-29(17-15-28)25(31)19-27-11-4-12-30(18-13-27)34(32,33)23-9-7-22(26)8-10-23/h3,5-10H,4,11-19H2,1-2H3