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

Systemtic Name: [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] ester Formula: C20H13N3O6S2 MolecularWeight: 455.46372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O6S2/c24-19(22-20-21-17-6-1-2-7-18(17)30-20)13-8-10-15(11-9-13)29-31(27,28)16-5-3-4-14(12-16)23(25)26/h1-12H,(H,21,22,24)