N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonyl-ethyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonyl-ethyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonyl-ethyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide Traditional Name: 2-[brosyl(ethyl)amino]-N-piperonyl-acetamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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