2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(4-methyl-3-piperidinosulfonyl-phenyl)iminomethyl]-4-nitro-phenolate Formula: C19H20N3O5S- MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21N3O5S/c1-14-5-6-16(12-19(14)28(26,27)21-9-3-2-4-10-21)20-13-15-11-17(22(24)25)7-8-18(15)23/h5-8,11-13,23H,2-4,9-10H2,1H3/p-1