(E)-but-2-enedioic acid; N-(8-oxidanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide

Systemtic Name: (E)-but-2-enedioic acid; N-(8-oxidanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide Openeye Name: fumaric acid; N-(8-hydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide CAS Name: (E)-2-butenedioic acid; N-(8-hydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide IUPAC Name: (E)-but-2-enedioic acid; N-(8-hydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide Traditional Name: fumaric acid; N-(8-hydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C2CCNCC(C2=C1)C3=CC=CC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C2CCNCC(C2=C1)C3=CC=CC=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2O3S.C4H4O4/c1-23(21,22)19-16-10-14-13(9-17(16)20)7-8-18-11-15(14)12-5-3-2-4-6-12;5-3(6)1-2-4(7)8/h2-6,9-10,15,18-20H,7-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+