4-[4-[1-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[1-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethyl]phenyl]butanoic acid Openeye Name: 4-[4-[2-phenyl-1-(p-tolylsulfonylamino)ethyl]phenyl]butanoic acid CAS Name: 4-[4-[1-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid IUPAC Name: 4-[4-[1-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid Traditional Name: 4-[4-[2-phenyl-1-(tosylamino)ethyl]phenyl]butyric acid Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C25H27NO4S/c1-19-10-16-23(17-11-19)31(29,30)26-24(18-21-6-3-2-4-7-21)22-14-12-20(13-15-22)8-5-9-25(27)28/h2-4,6-7,10-17,24,26H,5,8-9,18H2,1H3,(H,27,28)