2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(4-pyrrolidinosulfonylbenzoyl)piperazino]-1-(2-thienyl)ethanone Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c25-19(20-4-3-15-29-20)16-22-11-13-23(14-12-22)21(26)17-5-7-18(8-6-17)30(27,28)24-9-1-2-10-24/h3-8,15H,1-2,9-14,16H2