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

Systemtic Name: 4-(4-propylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-propylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-propyl-1-piperazinyl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-propylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-propylpiperazino)-3-[(2,4,5-trimethylphenyl)sulfonylamino]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)C(=O)O)NS(=O)(=O)C3=C(C=C(C(=C3)C)C)C

Isomeric SMILES

CCCN1CCN(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/C23H31N3O4S/c1-5-8-25-9-11-26(12-10-25)21-7-6-19(23(27)28)15-20(21)24-31(29,30)22-14-17(3)16(2)13-18(22)4/h6-7,13-15,24H,5,8-12H2,1-4H3,(H,27,28)