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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=C(C=C(C(=C3)C)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=C(C=C(C(=C3)C)C)C

InChI

InChI=1S/C22H29N3O4S/c1-5-24-8-10-25(11-9-24)20-7-6-18(22(26)27)14-19(20)23-30(28,29)21-13-16(3)15(2)12-17(21)4/h6-7,12-14,23H,5,8-11H2,1-4H3,(H,26,27)