4-[3-(furan-2-yl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid

Systemtic Name: 4-[3-(furan-2-yl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid Openeye Name: 4-[2-(benzyloxycarbonylamino)-3-(2-furyl)-3-oxo-propyl]benzenesulfonic acid CAS Name: 4-[3-(2-furanyl)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid IUPAC Name: 4-[3-(furan-2-yl)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid Traditional Name: 4-[2-(benzyloxycarbonylamino)-3-(2-furyl)-3-keto-propyl]besylic acid Formula: C21H19NO7S MolecularWeight: 429.44306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H19NO7S/c23-20(19-7-4-12-28-19)18(13-15-8-10-17(11-9-15)30(25,26)27)22-21(24)29-14-16-5-2-1-3-6-16/h1-12,18H,13-14H2,(H,22,24)(H,25,26,27)