2-(4-propylpiperazin-1-yl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-(4-propylpiperazin-1-yl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-(4-propylpiperazin-1-yl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-propyl-1-piperazinyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(4-propylpiperazin-1-yl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-(mesitylsulfonylamino)-2-(4-propylpiperazino)benzoic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C)C(=O)O

InChI

InChI=1S/C23H31N3O4S/c1-5-8-25-9-11-26(12-10-25)21-7-6-19(15-20(21)23(27)28)24-31(29,30)22-17(3)13-16(2)14-18(22)4/h6-7,13-15,24H,5,8-12H2,1-4H3,(H,27,28)