2-(4-cyclohexylpiperazin-1-yl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[(4-isobutylphenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 2-(4-cyclohexylpiperazino)-5-[(4-isobutylphenyl)sulfonylamino]benzoic acid Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C27H37N3O4S/c1-20(2)18-21-8-11-24(12-9-21)35(33,34)28-22-10-13-26(25(19-22)27(31)32)30-16-14-29(15-17-30)23-6-4-3-5-7-23/h8-13,19-20,23,28H,3-7,14-18H2,1-2H3,(H,31,32)