2-[[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]butanoic acid

Systemtic Name: 2-[[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]butanoic acid Openeye Name: 2-[[2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]amino]butanoic acid CAS Name: 2-[[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]butanoic acid IUPAC Name: 2-[[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]butanoic acid Traditional Name: 2-[[2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]amino]butyric acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NCC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCC(C(=O)O)NCC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C21H28N2O6S/c1-4-20(21(25)26)22-13-17(24)14-23(16-7-9-18(29-3)10-8-16)30(27,28)19-11-5-15(2)6-12-19/h5-12,17,20,22,24H,4,13-14H2,1-3H3,(H,25,26)