2-(4-sulfamoylphenoxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c21-31(27,28)17-7-5-16(6-8-17)29-12-13-30-20(24)15-4-9-18(19(14-15)23(25)26)22-10-2-1-3-11-22/h4-9,14H,1-3,10-13H2,(H2,21,27,28)