3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid 3-[4-(3-nitrooxypropyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid 3-[4-(3-nitrooxypropyl)piperazino]propyl ester Formula: C17H25ClN4O7S MolecularWeight: 464.921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O7S/c18-15-4-3-14(13-16(15)30(19,26)27)17(23)28-11-1-5-20-7-9-21(10-8-20)6-2-12-29-22(24)25/h3-4,13H,1-2,5-12H2,(H2,19,26,27)