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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-[(4-isobutylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-[(4-isobutylphenyl)sulfonylamino]benzoic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C23H31N3O4S/c1-4-25-11-13-26(14-12-25)22-10-7-19(23(27)28)16-21(22)24-31(29,30)20-8-5-18(6-9-20)15-17(2)3/h5-10,16-17,24H,4,11-15H2,1-3H3,(H,27,28)