diphenyl 3-aminocarbonyl-3-cyano-pentane-1,5-disulfonate

Systemtic Name: diphenyl 3-aminocarbonyl-3-cyano-pentane-1,5-disulfonate Openeye Name: diphenyl 3-carbamoyl-3-cyano-pentane-1,5-disulfonate CAS Name: 3-carbamoyl-3-cyanopentane-1,5-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-carbamoyl-3-cyanopentane-1,5-disulfonate Traditional Name: 3-carbamoyl-3-cyano-pentane-1,5-disulfonic acid diphenyl ester Formula: C19H20N2O7S2 MolecularWeight: 452.5013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCC(CCS(=O)(=O)OC2=CC=CC=C2)(C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCC(CCS(=O)(=O)OC2=CC=CC=C2)(C#N)C(=O)N

InChI

InChI=1S/C19H20N2O7S2/c20-15-19(18(21)22,11-13-29(23,24)27-16-7-3-1-4-8-16)12-14-30(25,26)28-17-9-5-2-6-10-17/h1-10H,11-14H2,(H2,21,22)