N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-piperonyl-acetamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Br

InChI

InChI=1S/C18H19BrN2O5S/c1-12-7-14(4-5-15(12)19)21(27(2,23)24)10-18(22)20-9-13-3-6-16-17(8-13)26-11-25-16/h3-8H,9-11H2,1-2H3,(H,20,22)