5-[(4-tert-butylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

InChI

InChI=1S/C24H30N4O4S/c1-24(2,3)18-5-8-20(9-6-18)33(31,32)26-19-7-10-22(21(17-19)23(29)30)28-15-13-27(14-16-28)12-4-11-25/h5-10,17,26H,4,12-16H2,1-3H3,(H,29,30)