N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-methyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-methylbenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-methylbenzamide Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-methyl-N-piperonyl-benzamide Formula: C22H19N3O8S MolecularWeight: 485.46656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O8S/c1-24(12-14-2-9-20-21(10-14)33-13-32-20)22(27)15-3-5-16(6-4-15)23-34(30,31)17-7-8-19(26)18(11-17)25(28)29/h2-11,23,26H,12-13H2,1H3