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

Systemtic Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H29N3O4S2/c1-16-13-19(17(2)24(16)14-18-5-3-11-28-18)20(25)15-22-7-9-23(10-8-22)30(26,27)21-6-4-12-29-21/h4,6,12-13,18H,3,5,7-11,14-15H2,1-2H3/t18-/m1/s1