[4-(piperidin-1-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(piperidin-1-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(1-piperidylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(1-piperidinylamino)methyl]phenyl] ester IUPAC Name: [4-(piperidin-1-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(piperidinocarbamoyl)phenyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c22-18(19-20-11-2-1-3-12-20)14-7-9-16(10-8-14)27-28(25,26)17-6-4-5-15(13-17)21(23)24/h4-10,13H,1-3,11-12H2,(H,19,22)