3-[4-[4-[3-(dimethylamino)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propyl]phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[3-(dimethylamino)-2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propyl]phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-[4-[3-(dimethylamino)-3-oxo-2-(p-tolylsulfonylamino)propyl]phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-[3-(dimethylamino)-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]phenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[3-(dimethylamino)-2-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]phenoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[3-(dimethylamino)-3-keto-2-(tosylamino)propyl]phenoxy]phenyl]propionic acid Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(=O)O)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(=O)O)C(=O)N(C)C

InChI

InChI=1S/C27H30N2O6S/c1-19-4-15-24(16-5-19)36(33,34)28-25(27(32)29(2)3)18-21-8-13-23(14-9-21)35-22-11-6-20(7-12-22)10-17-26(30)31/h4-9,11-16,25,28H,10,17-18H2,1-3H3,(H,30,31)