1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(phenylmethyl)-propan-2-yl-amino]ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(phenylmethyl)-propan-2-yl-amino]ethanone Openeye Name: 2-[benzyl(isopropyl)amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-[(phenylmethyl)-propan-2-ylamino]ethanone IUPAC Name: 2-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[benzyl(isopropyl)amino]-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C22H28FN3O3S MolecularWeight: 433.539423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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