N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetamide Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]-N-[(E)-piperonylideneamino]acetamide Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)N/N=C/C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C26H27N3O7S/c1-33-22-11-9-21(15-24(22)34-2)37(31,32)29(13-12-19-6-4-3-5-7-19)17-26(30)28-27-16-20-8-10-23-25(14-20)36-18-35-23/h3-11,14-16H,12-13,17-18H2,1-2H3,(H,28,30)/b27-16+