methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H13N3O7S2 MolecularWeight: 435.43102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S2/c1-27-16(22)10-5-9(6-11(7-10)20(23)24)15(21)19-17-18-13-4-3-12(29(2,25)26)8-14(13)28-17/h3-8H,1-2H3,(H,18,19,21)