[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)phenyl] ester Formula: C19H15N3O6S2 MolecularWeight: 445.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S2/c23-18(21-19-20-16-5-2-6-17(16)29-19)12-7-9-14(10-8-12)28-30(26,27)15-4-1-3-13(11-15)22(24)25/h1,3-4,7-11H,2,5-6H2,(H,20,21,23)