3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-propylpiperazino)benzoic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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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=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-4-9-24-10-12-25(13-11-24)21-8-6-18(22(26)27)15-20(21)23-30(28,29)19-7-5-16(2)17(3)14-19/h5-8,14-15,23H,4,9-13H2,1-3H3,(H,26,27)