4-[4-[phenyl(phenylcarbonyl)amino]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-[phenyl(phenylcarbonyl)amino]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(N-benzoylanilino)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(N-benzoylanilino)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(N-benzoylanilino)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(N-benzoylanilino)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C23H24NO7PS MolecularWeight: 489.477921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C23H24NO7PS/c25-23(19-9-3-1-4-10-19)24(20-11-5-2-6-12-20)21-16-14-18(15-17-21)8-7-13-22(32(26,27)28)33(29,30)31/h1-6,9-12,14-17,22H,7-8,13H2,(H2,26,27,28)(H,29,30,31)