5-[(4-ethanoylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-ethanoylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-acetylphenyl)sulfonylamino]-2-(4-carbethoxypiperazino)benzoic acid Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C)C(=O)O

InChI

InChI=1S/C22H25N3O7S/c1-3-32-22(29)25-12-10-24(11-13-25)20-9-6-17(14-19(20)21(27)28)23-33(30,31)18-7-4-16(5-8-18)15(2)26/h4-9,14,23H,3,10-13H2,1-2H3,(H,27,28)