N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-thiochroman-4-yl-benzamide Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S2/c26-20-10-9-16(13-19(20)25(28)29)33(30,31)24-15-7-5-14(6-8-15)22(27)23-18-11-12-32-21-4-2-1-3-17(18)21/h1-10,13,18,24,26H,11-12H2,(H,23,27)