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

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[(4-ethanoylphenyl)sulfonylamino]benzoic acid Openeye Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-cyclohexylpiperazin-1-yl)benzoic acid CAS Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-cyclohexyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-cyclohexylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-cyclohexylpiperazino)benzoic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-18(29)19-7-10-22(11-8-19)34(32,33)26-20-9-12-24(23(17-20)25(30)31)28-15-13-27(14-16-28)21-5-3-2-4-6-21/h7-12,17,21,26H,2-6,13-16H2,1H3,(H,30,31)