[4-[(6-morpholin-4-ylpyridin-3-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(6-morpholin-4-ylpyridin-3-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(6-morpholino-3-pyridyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[6-(4-morpholinyl)-3-pyridinyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-morpholin-4-ylpyridin-3-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(6-morpholino-3-pyridyl)carbamoyl]phenyl] ester Formula: C22H20N4O7S MolecularWeight: 484.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O7S/c27-22(24-17-6-9-21(23-15-17)25-10-12-32-13-11-25)16-4-7-19(8-5-16)33-34(30,31)20-3-1-2-18(14-20)26(28)29/h1-9,14-15H,10-13H2,(H,24,27)