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

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-isobutylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-[(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=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4S/c1-20(2)18-21-8-11-24(12-9-21)35(33,34)28-25-19-22(27(31)32)10-13-26(25)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)