2-[2-(methylsulfonylamino)-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(methylsulfonylamino)-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[2-(methanesulfonamido)-4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]acetic acid CAS Name: 2-[2-(methanesulfonamido)-4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]phenoxy]acetic acid IUPAC Name: 2-[2-(methanesulfonamido)-4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]acetic acid Traditional Name: 2-[2-(methanesulfonamido)-4-[(4-piperazinobenzoyl)amino]phenoxy]acetic acid Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N3CCNCC3)OCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N3CCNCC3)OCC(=O)O

InChI

InChI=1S/C20H24N4O6S/c1-31(28,29)23-17-12-15(4-7-18(17)30-13-19(25)26)22-20(27)14-2-5-16(6-3-14)24-10-8-21-9-11-24/h2-7,12,21,23H,8-11,13H2,1H3,(H,22,27)(H,25,26)