2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-sulfamoylbenzoate

Systemtic Name: 2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-sulfamoylbenzoate Openeye Name: 2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid 2-[4-(3-nitrooxypropyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid 2-[4-(3-nitrooxypropyl)piperazino]ethyl ester Formula: C16H24N4O7S MolecularWeight: 416.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO[N+](=O)[O-])CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CCCO[N+](=O)[O-])CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H24N4O7S/c17-28(24,25)15-4-2-14(3-5-15)16(21)26-13-11-19-9-7-18(8-10-19)6-1-12-27-20(22)23/h2-5H,1,6-13H2,(H2,17,24,25)