2-[(4-methylphenyl)sulfonyl-(3-oxidanylidene-3-phenyl-propyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(3-oxidanylidene-3-phenyl-propyl)amino]ethanoic acid Openeye Name: 2-[(3-oxo-3-phenyl-propyl)-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(3-oxo-3-phenylpropyl)amino]acetic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(3-oxo-3-phenylpropyl)amino]acetic acid Traditional Name: 2-[(3-keto-3-phenyl-propyl)-tosyl-amino]acetic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C18H19NO5S/c1-14-7-9-16(10-8-14)25(23,24)19(13-18(21)22)12-11-17(20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,22)