1,3-benzothiazol-2-ylmethyl 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H15N3O7S2 MolecularWeight: 485.4897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O7S2/c25-18-9-8-13(23-33(29,30)15-5-3-4-14(11-15)24(27)28)10-16(18)21(26)31-12-20-22-17-6-1-2-7-19(17)32-20/h1-11,23,25H,12H2