1-(2,5-dimethylthiophen-3-yl)-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-pyrrolidinosulfonylpiperazino)butane-1,4-dione Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O4S2/c1-14-13-16(15(2)26-14)17(22)5-6-18(23)19-9-11-21(12-10-19)27(24,25)20-7-3-4-8-20/h13H,3-12H2,1-2H3