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

Systemtic Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-sulfamoylbenzoate Openeye Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid 3-[4-(3-nitrooxypropyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid 3-[4-(3-nitrooxypropyl)piperazino]propyl ester Formula: C17H26N4O7S MolecularWeight: 430.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N)CCCO[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N)CCCO[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O7S/c18-29(25,26)16-5-3-15(4-6-16)17(22)27-13-1-7-19-9-11-20(12-10-19)8-2-14-28-21(23)24/h3-6H,1-2,7-14H2,(H2,18,25,26)