4-(4-cyclohexylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(p-phenetylsulfonylamino)benzoic acid Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-2-33-21-9-11-22(12-10-21)34(31,32)26-23-18-19(25(29)30)8-13-24(23)28-16-14-27(15-17-28)20-6-4-3-5-7-20/h8-13,18,20,26H,2-7,14-17H2,1H3,(H,29,30)