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

Systemtic Name: [4-[(6-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(6-morpholino-3-pyridyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[6-(4-morpholinyl)-3-pyridinyl]methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(6-morpholino-3-pyridyl)methylcarbamoyl]phenyl] ester Formula: C23H22N4O7S MolecularWeight: 498.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O7S/c28-23(25-16-17-4-9-22(24-15-17)26-10-12-33-13-11-26)18-5-7-20(8-6-18)34-35(31,32)21-3-1-2-19(14-21)27(29)30/h1-9,14-15H,10-13,16H2,(H,25,28)