2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: 2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: 2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid 2-[4-(3-nitrooxypropyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-nitrooxypropyl)piperazin-1-yl]ethyl 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid 2-[4-(3-nitrooxypropyl)piperazino]ethyl ester Formula: C16H23ClN4O7S MolecularWeight: 450.89442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O7S/c17-14-3-2-13(12-15(14)29(18,25)26)16(22)27-11-9-20-7-5-19(6-8-20)4-1-10-28-21(23)24/h2-3,12H,1,4-11H2,(H2,18,25,26)