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

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

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CNCCCC(=O)O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CNCCCC(=O)O)O)C2=CC=C(C=C2)OC

InChI

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