N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S2/c1-12-2-8-16-19(10-12)32-21(22-16)23-20(27)13-3-5-14(6-4-13)24-33(30,31)15-7-9-18(26)17(11-15)25(28)29/h3-7,9,11-12,24,26H,2,8,10H2,1H3,(H,22,23,27)