1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H25N3O5S2/c1-16-12-19(17(2)26(16)18-5-6-21-22(13-18)31-15-30-21)20(27)14-24-7-9-25(10-8-24)33(28,29)23-4-3-11-32-23/h3-6,11-13H,7-10,14-15H2,1-2H3