[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] ester Formula: C22H17N3O7S2 MolecularWeight: 499.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7S2/c1-2-31-17-10-11-19-20(13-17)33-22(23-19)24-21(26)14-6-8-16(9-7-14)32-34(29,30)18-5-3-4-15(12-18)25(27)28/h3-13H,2H2,1H3,(H,23,24,26)