N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide Traditional Name: 4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-thiochroman-4-yl-benzamide Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C23H21N3O6S2/c1-32-21-11-8-16(26(28)29)14-20(21)25-34(30,31)17-9-6-15(7-10-17)23(27)24-19-12-13-33-22-5-3-2-4-18(19)22/h2-11,14,19,25H,12-13H2,1H3,(H,24,27)