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

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

Systemtic Name:1,3-benzothiazol-2-ylmethyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
Openeye Name:1,3-benzothiazol-2-ylmethyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CAS Name:2-[(3-nitrophenyl)sulfonylamino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
Traditional Name:2-[(3-nitrophenyl)sulfonylamino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C21H15N3O6S2
MolecularWeight: 469.4903
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]


InChI

InChI=1S/C21H15N3O6S2/c25-21(30-13-20-22-18-10-3-4-11-19(18)31-20)16-8-1-2-9-17(16)23-32(28,29)15-7-5-6-14(12-15)24(26)27/h1-12,23H,13H2


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