4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-nitrophenolate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-nitro-phenolate Formula: C18H20N3O7S2- MolecularWeight: 454.4973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7S2/c22-18-10-9-16(13-17(18)21(23)24)29(25,26)19-14-5-7-15(8-6-14)30(27,28)20-11-3-1-2-4-12-20/h5-10,13,19,22H,1-4,11-12H2/p-1