N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzamide

Systemtic Name: N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]-5-[(3-nitrophenyl)sulfonylamino]benzamide CAS Name: 2-hydroxy-N-[[3-(4-morpholinyl)-3-thiolanyl]methyl]-5-[(3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: 2-hydroxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-[(3-nitrophenyl)sulfonylamino]benzamide Traditional Name: 2-hydroxy-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]-5-[(3-nitrophenyl)sulfonylamino]benzamide Formula: C22H26N4O7S2 MolecularWeight: 522.59444

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1(CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O)N4CCOCC4

Isomeric SMILES

C1CSCC1(CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O)N4CCOCC4

InChI

InChI=1S/C22H26N4O7S2/c27-20-5-4-16(24-35(31,32)18-3-1-2-17(13-18)26(29)30)12-19(20)21(28)23-14-22(6-11-34-15-22)25-7-9-33-10-8-25/h1-5,12-13,24,27H,6-11,14-15H2,(H,23,28)