2-nitro-5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]phenolate

Systemtic Name: 2-nitro-5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]phenolate Openeye Name: 2-nitro-5-[[4-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]phenolate CAS Name: 2-nitro-5-[oxo-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]phenolate IUPAC Name: 2-nitro-5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]phenolate Traditional Name: 2-nitro-5-[(4-piperidinosulfonylbenzyl)carbamoyl]phenolate Formula: C19H20N3O6S- MolecularWeight: 418.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O6S/c23-18-12-15(6-9-17(18)22(25)26)19(24)20-13-14-4-7-16(8-5-14)29(27,28)21-10-2-1-3-11-21/h4-9,12,23H,1-3,10-11,13H2,(H,20,24)/p-1