3-(1,3-benzodioxol-5-yl)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-bromophenyl)sulfonylpiperazino]propan-1-one Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H21BrN2O5S/c21-16-2-1-3-17(13-16)29(25,26)23-10-8-22(9-11-23)20(24)7-5-15-4-6-18-19(12-15)28-14-27-18/h1-4,6,12-13H,5,7-11,14H2