N-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-bromanyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-bromo-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-bromobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-bromobenzenesulfonamide Traditional Name: 4-bromo-N-(3-piperonyl-2,4-dihydro-1H-s-triazin-6-yl)benzenesulfonamide Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=NCN1CC2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1NC(=NCN1CC2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H17BrN4O4S/c18-13-2-4-14(5-3-13)27(23,24)21-17-19-9-22(10-20-17)8-12-1-6-15-16(7-12)26-11-25-15/h1-7H,8-11H2,(H2,19,20,21)