methyl 5-nitro-2-(3-sulfamoylpiperidin-1-yl)benzoate

Systemtic Name: methyl 5-nitro-2-(3-sulfamoylpiperidin-1-yl)benzoate Openeye Name: methyl 5-nitro-2-(3-sulfamoyl-1-piperidyl)benzoate CAS Name: 5-nitro-2-(3-sulfamoyl-1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(3-sulfamoylpiperidin-1-yl)benzoate Traditional Name: 5-nitro-2-(3-sulfamoylpiperidino)benzoic acid methyl ester Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)S(=O)(=O)N

InChI

InChI=1S/C13H17N3O6S/c1-22-13(17)11-7-9(16(18)19)4-5-12(11)15-6-2-3-10(8-15)23(14,20)21/h4-5,7,10H,2-3,6,8H2,1H3,(H2,14,20,21)