1-[1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]sulfonyl-2,3-dihydroindole

Systemtic Name: 1-[1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]sulfonyl-2,3-dihydroindole Openeye Name: 1-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylindoline CAS Name: 1-[[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-pyrazolyl]sulfonyl]-2,3-dihydroindole IUPAC Name: 1-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole Traditional Name: 1-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylindoline Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C=C2Br)OCO3)C)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C=C2Br)OCO3)C)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C21H20BrN3O4S/c1-13-21(30(26,27)25-8-7-15-5-3-4-6-18(15)25)14(2)24(23-13)11-16-9-19-20(10-17(16)22)29-12-28-19/h3-6,9-10H,7-8,11-12H2,1-2H3