[4-(2-thiophen-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(2-thiophen-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2-thienyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2-thiophen-2-ylethylamino)methyl]phenyl] ester IUPAC Name: [4-(2-thiophen-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2-thienyl)ethylcarbamoyl]phenyl] ester Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S2/c22-19(20-11-10-17-4-2-12-28-17)14-6-8-16(9-7-14)27-29(25,26)18-5-1-3-15(13-18)21(23)24/h1-9,12-13H,10-11H2,(H,20,22)