[4-[[5-(phenylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[5-(phenylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-benzylthiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[5-(phenylmethyl)-2-thiazolyl]amino]methyl]phenyl] ester IUPAC Name: [4-[(5-benzyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-benzylthiazol-2-yl)carbamoyl]phenyl] ester Formula: C23H17N3O6S2 MolecularWeight: 495.52758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6S2/c27-22(25-23-24-15-20(33-23)13-16-5-2-1-3-6-16)17-9-11-19(12-10-17)32-34(30,31)21-8-4-7-18(14-21)26(28)29/h1-12,14-15H,13H2,(H,24,25,27)