3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-phenylsulfanyl-butanoic acid Openeye Name: 2-benzyl-4-phenylsulfanyl-3-(p-tolylsulfonylamino)butanoic acid CAS Name: 3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-(phenylthio)butanoic acid IUPAC Name: 2-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-phenylsulfanylbutanoic acid Traditional Name: 2-benzyl-4-(phenylthio)-3-(tosylamino)butyric acid Formula: C24H25NO4S2 MolecularWeight: 455.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO4S2/c1-18-12-14-21(15-13-18)31(28,29)25-23(17-30-20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23,25H,16-17H2,1H3,(H,26,27)