4-(4-cyclohexylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Formula: C23H28FN3O4S MolecularWeight: 461.549523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN3O4S/c24-18-7-9-20(10-8-18)32(30,31)25-21-16-17(23(28)29)6-11-22(21)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h6-11,16,19,25H,1-5,12-15H2,(H,28,29)