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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-piperonyl-benzamide Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-14-2-8-18(11-19(14)25(27)28)33(29,30)24-17-6-4-16(5-7-17)22(26)23-12-15-3-9-20-21(10-15)32-13-31-20/h2-11,24H,12-13H2,1H3,(H,23,26)