N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide Traditional Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-piperonyl-acetamide Formula: C18H20N4O7S MolecularWeight: 436.439

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S/c1-19-14-5-4-13(8-15(14)22(24)25)30(26,27)21(2)10-18(23)20-9-12-3-6-16-17(7-12)29-11-28-16/h3-8,19H,9-11H2,1-2H3,(H,20,23)