1,3-benzothiazol-2-ylmethyl 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H14N2O7S2 MolecularWeight: 470.47506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H14N2O7S2/c24-21(29-13-20-22-18-6-1-2-7-19(18)31-20)14-8-10-16(11-9-14)30-32(27,28)17-5-3-4-15(12-17)23(25)26/h1-12H,13H2