3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-isobutylphenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(4-isobutylphenyl)sulfonylamino]-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C26H30N4O4S MolecularWeight: 494.6058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H30N4O4S/c1-19(2)17-20-6-9-22(10-7-20)35(33,34)28-23-18-21(26(31)32)8-11-24(23)29-13-15-30(16-14-29)25-5-3-4-12-27-25/h3-12,18-19,28H,13-17H2,1-2H3,(H,31,32)