[4-(1-thiophen-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(1-thiophen-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[1-(2-thienyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(1-thiophen-2-ylethylamino)methyl]phenyl] ester IUPAC Name: [4-(1-thiophen-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[1-(2-thienyl)ethylcarbamoyl]phenyl] ester Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S2/c1-13(18-6-3-11-28-18)20-19(22)14-7-9-16(10-8-14)27-29(25,26)17-5-2-4-15(12-17)21(23)24/h2-13H,1H3,(H,20,22)