[4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(3-pyridyl)thiazol-2-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[4-(3-pyridinyl)-2-thiazolyl]amino]methyl]phenyl] ester IUPAC Name: [4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(3-pyridyl)thiazol-2-yl]carbamoyl]phenyl] ester Formula: C21H14N4O6S2 MolecularWeight: 482.48906

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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)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6S2/c26-20(24-21-23-19(13-32-21)15-3-2-10-22-12-15)14-6-8-17(9-7-14)31-33(29,30)18-5-1-4-16(11-18)25(27)28/h1-13H,(H,23,24,26)