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

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-18-8-11-24(19(2)16-18)33(31,32)26-22-17-20(25(29)30)9-10-23(22)28-14-12-27(13-15-28)21-6-4-3-5-7-21/h8-11,16-17,21,26H,3-7,12-15H2,1-2H3,(H,29,30)