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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-ethyl-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-N-piperonyl-benzamide Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C23H21N3O8S/c1-2-25(13-15-3-10-21-22(11-15)34-14-33-21)23(28)16-4-6-17(7-5-16)24-35(31,32)18-8-9-20(27)19(12-18)26(29)30/h3-12,24,27H,2,13-14H2,1H3