1-pyrrolidin-1-yl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[2-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]sulfanyl-ethanone CAS Name: 2-[[2-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylethanone Traditional Name: 1-pyrrolidino-2-[[2-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]thio]ethanone Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S3/c25-19(22-9-3-4-10-22)16-30-18-7-2-1-6-17(18)21(26)23-11-13-24(14-12-23)31(27,28)20-8-5-15-29-20/h1-2,5-8,15H,3-4,9-14,16H2