7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-[(3-fluorophenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-[(3-fluorophenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-[(3-fluorophenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methylsulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(3-fluorobenzyl)sulfonylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H33FN4O4S MolecularWeight: 528.638723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CS(=O)(=O)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CS(=O)(=O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C27H33FN4O4S/c28-21-6-4-5-19(15-21)17-37(35,36)18-25-26(33)30-24-16-20(9-10-23(24)29-25)27(34)32-13-11-31(12-14-32)22-7-2-1-3-8-22/h4-6,9-10,15-16,22,25,29H,1-3,7-8,11-14,17-18H2,(H,30,33)