4-[(4-methylphenyl)sulfonyl-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]amino]benzoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]amino]benzoic acid Openeye Name: 4-[[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-tosyl-amino]benzoic acid Formula: C23H22N2O8S MolecularWeight: 486.49438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22N2O8S/c1-16-2-12-22(13-3-16)34(31,32)24(18-6-4-17(5-7-18)23(27)28)14-20(26)15-33-21-10-8-19(9-11-21)25(29)30/h2-13,20,26H,14-15H2,1H3,(H,27,28)/t20-/m1/s1