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

Systemtic Name: [4-(1,3-thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2-thiazolylamino)methyl]phenyl] ester IUPAC Name: [4-(1,3-thiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(thiazol-2-ylcarbamoyl)phenyl] ester Formula: C16H11N3O6S2 MolecularWeight: 405.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6S2/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/h1-10H,(H,17,18,20)