2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(2-methyl-5-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)S(=O)(=O)N2CCCCC2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

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