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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H20N3O5S- MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O5S/c23-19-10-7-17(22(24)25)13-15(19)14-20-16-5-8-18(9-6-16)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14,23H,1-4,11-12H2/p-1