4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Formula: C26H35N3O4S MolecularWeight: 485.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4)C

InChI

InChI=1S/C26H35N3O4S/c1-18-15-20(3)25(16-19(18)2)34(32,33)27-23-17-21(26(30)31)9-10-24(23)29-13-11-28(12-14-29)22-7-5-4-6-8-22/h9-10,15-17,22,27H,4-8,11-14H2,1-3H3,(H,30,31)