2-[4-[[2-azanyl-3-(diphenylmethyl)oxy-3-oxidanylidene-propoxy]carbonylamino]phenyl]-2-sulfo-ethanoic acid

Systemtic Name: 2-[4-[[2-azanyl-3-(diphenylmethyl)oxy-3-oxidanylidene-propoxy]carbonylamino]phenyl]-2-sulfo-ethanoic acid Openeye Name: 2-[4-[(2-amino-3-benzhydryloxy-3-oxo-propoxy)carbonylamino]phenyl]-2-sulfo-acetic acid CAS Name: 2-[4-[[[2-amino-3-(diphenylmethyl)oxy-3-oxopropoxy]-oxomethyl]amino]phenyl]-2-sulfoacetic acid IUPAC Name: 2-[4-[(2-amino-3-benzhydryloxy-3-oxopropoxy)carbonylamino]phenyl]-2-sulfoacetic acid Traditional Name: 2-[4-[(2-amino-3-benzhydryloxy-3-keto-propoxy)carbonylamino]phenyl]-2-sulfo-acetic acid Formula: C25H24N2O9S MolecularWeight: 528.53106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(COC(=O)NC3=CC=C(C=C3)C(C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(COC(=O)NC3=CC=C(C=C3)C(C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C25H24N2O9S/c26-20(24(30)36-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17)15-35-25(31)27-19-13-11-18(12-14-19)22(23(28)29)37(32,33)34/h1-14,20-22H,15,26H2,(H,27,31)(H,28,29)(H,32,33,34)