N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]ethanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-phenethylamino]acetamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[(4-methoxyphenyl)sulfonyl-phenethyl-amino]acetamide Formula: C25H24BrN3O6S MolecularWeight: 574.44356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NN=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)N/N=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C25H24BrN3O6S/c1-33-20-7-9-21(10-8-20)36(31,32)29(12-11-18-5-3-2-4-6-18)16-25(30)28-27-15-19-13-23-24(14-22(19)26)35-17-34-23/h2-10,13-15H,11-12,16-17H2,1H3,(H,28,30)/b27-15+