4-nitro-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]iminomethyl]phenolate Traditional Name: 4-nitro-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]iminomethyl]phenolate Formula: C19H19N4O5S- MolecularWeight: 415.44296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H20N4O5S/c24-18-9-8-16(23(25)26)11-14(18)13-21-15-5-4-6-17(12-15)29(27,28)22-19-7-2-1-3-10-20-19/h4-6,8-9,11-13,24H,1-3,7,10H2,(H,20,22)/p-1