4-methylbenzenesulfonic acid; 4-morpholin-4-yl-N-(4-nitrophenyl)pyridine-2-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; 4-morpholin-4-yl-N-(4-nitrophenyl)pyridine-2-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 4-morpholino-N-(4-nitrophenyl)pyridine-2-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 4-(4-morpholinyl)-N-(4-nitrophenyl)-2-pyridinecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 4-morpholin-4-yl-N-(4-nitrophenyl)pyridine-2-carboxamide Traditional Name: 4-morpholino-N-(4-nitrophenyl)picolinamide; tosylic acid Formula: C23H24N4O7S MolecularWeight: 500.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1C2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1C2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4.C7H8O3S/c21-16(18-12-1-3-13(4-2-12)20(22)23)15-11-14(5-6-17-15)19-7-9-24-10-8-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,11H,7-10H2,(H,18,21);2-5H,1H3,(H,8,9,10)