2-[4-[3-oxidanylidene-3-(pentylamino)-2-[(4-phenylphenyl)sulfonylamino]propyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[3-oxidanylidene-3-(pentylamino)-2-[(4-phenylphenyl)sulfonylamino]propyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[3-oxo-3-(pentylamino)-2-[(4-phenylphenyl)sulfonylamino]propyl]phenoxy]propanedioic acid CAS Name: 2-[4-[3-oxo-3-(pentylamino)-2-[(4-phenylphenyl)sulfonylamino]propyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[3-oxo-3-(pentylamino)-2-[(4-phenylphenyl)sulfonylamino]propyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[3-(amylamino)-3-keto-2-[(4-phenylphenyl)sulfonylamino]propyl]phenoxy]malonic acid Formula: C29H32N2O8S MolecularWeight: 568.63798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H32N2O8S/c1-2-3-7-18-30-27(32)25(19-20-10-14-23(15-11-20)39-26(28(33)34)29(35)36)31-40(37,38)24-16-12-22(13-17-24)21-8-5-4-6-9-21/h4-6,8-17,25-26,31H,2-3,7,18-19H2,1H3,(H,30,32)(H,33,34)(H,35,36)