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

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C19H19BrN4O6S MolecularWeight: 511.34636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C19H19BrN4O6S/c1-12(25)22-14-3-5-15(6-4-14)31(27,28)24(2)10-19(26)23-21-9-13-7-17-18(8-16(13)20)30-11-29-17/h3-9H,10-11H2,1-2H3,(H,22,25)(H,23,26)/b21-9+