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

Systemtic Name: [4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4,5-dihydrothiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(2-thiazolin-2-ylcarbamoyl)phenyl] ester Formula: C16H13N3O6S2 MolecularWeight: 407.42092

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S2/c20-15(18-16-17-8-9-26-16)11-4-6-13(7-5-11)25-27(23,24)14-3-1-2-12(10-14)19(21)22/h1-7,10H,8-9H2,(H,17,18,20)