2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-pyrrolidinosulfonylpiperazino)ethanone Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H27N3O4S/c1-15-5-6-18-17(14-27-20(18)16(15)2)13-19(24)21-9-11-23(12-10-21)28(25,26)22-7-3-4-8-22/h5-6,14H,3-4,7-13H2,1-2H3